{ "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" [ 0.857074 1.21697 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" [ 1.373183936408916e-19 1.94980089827898e-19 3.01702677595272e-19 3.4982084844419394e-19 3.9105286412018396e-19 4.26962449018026e-19 4.58546157004068e-19 4.864945262075639e-19 5.11312242268224e-19 5.333790210483059e-19 5.52997673931636e-19 5.70408527413314e-19 5.85808649219322e-19 5.9936626789623e-19 6.11219170634562e-19 6.21489122858502e-19 6.302786638726259e-19 6.376807199217059e-19 6.43775399837442e-19 6.4863319939173e-19 6.52319807826564e-19 6.54891301324134e-19 6.56398949536728e-19 6.568924199399999e-19 6.566520934448999e-19 6.558542094811679e-19 6.5436258303491395e-19 6.51996168146496e-19 6.485290579105199e-19 6.436520322366239e-19 6.36959740436406e-19 6.278946250412339e-19 6.15681232560252e-19 5.992156632926339e-19 5.76878116661406e-19 5.4621405806328e-19 5.03349424397244e-19 4.41838659064716e-19 3.5024382307556994e-19 2.0641482446475598e-19 -3.81551956680564e-20 -5.113843402167539e-19 ] } }