{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.12007 5.710003 5.45586 5.271212 5.126101 5.006546 4.904878 4.816437 4.738172 4.667983 4.604356 4.54617 4.492567 4.442877 4.396567 4.353207 4.312444 4.273983 4.237579 4.203023 4.170136 4.138764 4.108775 4.08005 4.051011 4.021085 3.990218 3.958349 3.925409 3.891324 3.856013 3.819383 3.781332 3.741745 3.700494 3.657432 3.612392 3.565185 3.515591 3.463355 3.408182 3.349719 3.28755 3.221174 3.149979 3.07321 2.989919 2.898896 2.798556 2.686771 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.12007e-10 5.710003000000001e-10 5.45586e-10 5.271212e-10 5.126101000000001e-10 5.006546e-10 4.904878000000001e-10 4.816436999999999e-10 4.738172e-10 4.667983000000001e-10 4.604356e-10 4.54617e-10 4.4925670000000004e-10 4.442877e-10 4.3965670000000004e-10 4.353207e-10 4.312444e-10 4.2739830000000007e-10 4.2375790000000005e-10 4.203023e-10 4.1701360000000005e-10 4.138764e-10 4.1087749999999996e-10 4.0800500000000003e-10 4.051011e-10 4.0210850000000006e-10 3.9902180000000004e-10 3.9583490000000003e-10 3.9254090000000005e-10 3.891324e-10 3.856013e-10 3.8193830000000005e-10 3.781332e-10 3.741745e-10 3.700494e-10 3.657432e-10 3.612392e-10 3.565185e-10 3.5155910000000005e-10 3.4633550000000003e-10 3.408182e-10 3.349719e-10 3.28755e-10 3.221174e-10 3.149979e-10 3.07321e-10 2.989919e-10 2.8988960000000005e-10 2.798556e-10 2.686771e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.667097 1.07502 1.417 1.71673 1.98998 2.24141 2.46985 2.67465 2.85717 3.01951 3.16374 3.2916 3.40456 3.50391 3.59073 3.66602 3.73062 3.78525 3.83054 3.86694 3.89486 3.91453 3.92618 3.93001 3.92585 3.91238 3.888 3.85076 3.79766 3.72556 3.63078 3.50888 3.3544 3.16063 2.91907 2.61895 2.24636 1.7833 1.20616 0.483886 -0.424942 -1.57682 -3.05053 -4.95817 -7.46044 -10.7886 -15.2875 -21.5028 -30.345 -43.4153 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.068807226011498e-19 1.72237192508268e-19 2.270284290378e-19 2.7505046928868197e-19 3.18829945812732e-19 3.59113472921394e-19 3.9571359594849e-19 4.2852617341281e-19 4.57769101336578e-19 4.83778836812934e-19 5.06887030405116e-19 5.2737246084744e-19 5.45470648105104e-19 5.61388272963894e-19 5.75298370500282e-19 5.87361158377668e-19 5.97711219433308e-19 6.064639103848499e-19 6.137201683602359e-19 6.195520913079959e-19 6.24025368470124e-19 6.27176849909202e-19 6.29043385687812e-19 6.296570193386339e-19 6.2899051385889e-19 6.26832381932892e-19 6.229262752991999e-19 6.16959769514184e-19 6.08452211587644e-19 5.96900518056504e-19 5.81715087919452e-19 5.62184554750992e-19 5.374341301089599e-19 5.06388753471942e-19 4.67686574701038e-19 4.1960204956142994e-19 3.59906550355224e-19 2.8571615914122e-19 1.9324813688654397e-19 7.75270842719724e-20 -6.808321432052279e-20 -2.52634416002388e-19 -4.88748788731602e-19 -7.94386412139978e-19 -1.195294264735896e-18 -1.72852428335724e-18 -2.4493275292274997e-18 -3.44512837255752e-18 -4.861804995872999e-18 -6.95589792181002e-18 ] } }