{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.32147 4.031916 3.852461 3.722078 3.619613 3.535193 3.463404 3.400954 3.34569 3.296128 3.251201 3.210115 3.172265 3.137178 3.104478 3.073861 3.045077 3.017919 2.992214 2.967813 2.944591 2.922439 2.901263 2.88098 2.867172 2.852639 2.837302 2.821066 2.803819 2.785427 2.765727 2.744518 2.72155 2.696505 2.66897 2.638393 2.604019 2.564769 2.519026 2.46421 2.395806 2.30478 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.32147e-10 4.0319159999999997e-10 3.852461e-10 3.722078e-10 3.619613e-10 3.535193e-10 3.4634040000000004e-10 3.4009540000000003e-10 3.34569e-10 3.2961280000000003e-10 3.251201e-10 3.210115e-10 3.172265e-10 3.137178e-10 3.104478e-10 3.073861e-10 3.045077e-10 3.0179190000000004e-10 2.992214e-10 2.9678130000000003e-10 2.944591e-10 2.9224389999999997e-10 2.901263e-10 2.88098e-10 2.867172e-10 2.852639e-10 2.837302e-10 2.821066e-10 2.803819e-10 2.785427e-10 2.765727e-10 2.7445179999999997e-10 2.7215500000000003e-10 2.6965050000000005e-10 2.66897e-10 2.6383930000000003e-10 2.6040190000000004e-10 2.564769e-10 2.5190260000000003e-10 2.46421e-10 2.395806e-10 2.3047800000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06378 1.52253 1.88308 2.18341 2.44076 2.66489 2.86202 3.03646 3.19136 3.32909 3.45154 3.56021 3.65633 3.74095 3.81493 3.87903 3.93389 3.98009 4.01813 4.04845 4.07146 4.08751 4.09692 4.1 4.0985 4.09352 4.08421 4.06944 4.0478 4.01736 3.97559 3.91901 3.84278 3.74001 3.60059 3.4092 3.14166 2.75774 2.18605 1.28834 -0.238146 -3.19181 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.704363445674624e-19 2.439361970466624e-19 3.0170267510960644e-19 3.498208455620928e-19 3.9105286089838084e-19 4.2696244550037126e-19 4.585461532262015e-19 4.864945221994369e-19 5.113122380556288e-19 5.333790166539072e-19 5.5299766937560325e-19 5.704085227138369e-19 5.858086443929664e-19 5.993662629581761e-19 6.112191655988544e-19 6.214891177381825e-19 6.302786586798912e-19 6.376807146679873e-19 6.437753945335104e-19 6.48633194047776e-19 6.523198024522368e-19 6.548912959286208e-19 6.563989441287936e-19 6.56892414528e-19 6.5665208803488e-19 6.558542040777216e-19 6.543625776437568e-19 6.519961627748353e-19 6.48529052567424e-19 6.436520269337088e-19 6.369597351886273e-19 6.2789461986814085e-19 6.156812274877824e-19 5.992156583558208e-19 5.7687811190862725e-19 5.46214053563136e-19 5.033494202502528e-19 4.418386554244992e-19 3.50243820189984e-19 2.0641482276414723e-19 -3.815519535370368e-20 -5.113843360035648e-19 ] } }