{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.19616 5.780994 5.52369 5.336746 5.18983 5.068788 4.965856 4.876315 4.797077 4.726014 4.661597 4.602687 4.548417 4.498109 4.451223 4.407324 4.366054 4.327115 4.290259 4.255273 4.221977 4.190215 4.159852 4.13077 4.10137 4.071073 4.039822 4.007556 3.974207 3.939699 3.903949 3.866864 3.82834 3.788261 3.746497 3.7029 3.657301 3.609507 3.559297 3.506412 3.450553 3.391364 3.328422 3.261221 3.189141 3.111418 3.027093 2.934939 2.833351 2.720178 2.59243 2.445792 2.273692 2.06539 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.19616e-10 5.780994e-10 5.52369e-10 5.336746e-10 5.18983e-10 5.068787999999999e-10 4.965856e-10 4.876315e-10 4.797077e-10 4.726014e-10 4.661597000000001e-10 4.6026870000000005e-10 4.548417e-10 4.4981090000000005e-10 4.4512229999999997e-10 4.4073240000000003e-10 4.3660540000000004e-10 4.327115e-10 4.290259e-10 4.255273e-10 4.221977e-10 4.1902150000000003e-10 4.159852e-10 4.13077e-10 4.10137e-10 4.071073e-10 4.039822e-10 4.007556e-10 3.9742069999999997e-10 3.939699e-10 3.903949e-10 3.8668640000000003e-10 3.82834e-10 3.788261e-10 3.7464970000000005e-10 3.7029e-10 3.657301e-10 3.609507e-10 3.559297e-10 3.506412e-10 3.4505530000000005e-10 3.391364e-10 3.3284220000000004e-10 3.261221e-10 3.189141e-10 3.1114180000000003e-10 3.027093e-10 2.934939e-10 2.833351e-10 2.7201780000000003e-10 2.59243e-10 2.445792e-10 2.2736920000000002e-10 2.0653899999999998e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 4.05287 4.80971 4.83196 4.60384 4.35513 4.013 3.60007 3.47256 3.49791 3.54979 3.61155 3.68278 3.76292 3.85025 3.94079 4.02974 4.1121 4.18091 4.23337 4.26573 4.29672 4.32 4.33392 4.33794 4.33427 4.32373 4.30716 4.28548 4.26013 4.23205 4.19932 4.15374 4.09571 4.02728 3.94784 3.85238 3.73697 3.59342 3.41185 3.16915 2.84597 2.41921 1.90699 1.30967 0.613923 -0.111651 -0.722608 -1.27661 -2.01946 -3.13533 -4.52786 -5.85426 -8.45943 -14.4053 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.49341361463958e-19 7.70600497831614e-19 7.741653408422639e-19 7.376164874674559e-19 6.977687524032419e-19 6.429534832242e-19 5.767948034764379e-19 5.56365449216304e-19 5.60426966983494e-19 5.6873905936068595e-19 5.7863410225227e-19 5.90046406416252e-19 6.0288624996112795e-19 6.1687805850585e-19 6.313841657500859e-19 6.45635526909516e-19 6.588310536671399e-19 6.698556310856939e-19 6.782606497076579e-19 6.834452932952819e-19 6.884104386840479e-19 6.92140305888e-19 6.943705357625279e-19 6.950146107693959e-19 6.94426611944718e-19 6.92737917772482e-19 6.900831110899439e-19 6.866095921474319e-19 6.82548074380242e-19 6.7804916239197e-19 6.72805238268888e-19 6.655025171711159e-19 6.56205086164014e-19 6.45241391457552e-19 6.325137002770559e-19 6.17219322128892e-19 5.98728601595898e-19 5.757293560148279e-19 5.4663863487129e-19 5.0775380796411e-19 4.55974663506498e-19 3.8760017347391397e-19 3.05533481927166e-19 2.0983226722507796e-19 9.83613085675182e-20 -1.78884623362734e-20 -1.157745653141472e-19 -2.0453547127307398e-19 -3.23553162529764e-19 -5.02335246587922e-19 -7.25443149402324e-19 -9.37955858136084e-19 -1.3553501082958619e-18 -2.30798350657602e-18 ] } }