{ "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 1.15694 1.4479 1.68913 1.89463 2.60141 2.82392 3.00587 3.16705 3.31002 3.43678 3.54898 3.64796 3.73485 3.81061 3.87608 3.93197 3.97892 4.01747 4.04812 4.07132 4.08747 4.09692 4.1 4.09851 4.09359 4.08448 4.07016 4.04939 4.02049 3.9813 3.92887 3.85922 3.76674 3.64339 3.47724 3.24987 2.93152 2.47082 1.77178 0.632582 -1.45209 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.85362223493996e-19 2.3197915483686e-19 2.70628461778842e-19 3.0355319160754197e-19 4.1679183174539396e-19 4.52441864028528e-19 4.815934678841579e-19 5.0741735087097e-19 5.30323670207268e-19 5.5063286121985195e-19 5.686092830533319e-19 5.84467627376664e-19 5.983889401494899e-19 6.10527030328674e-19 6.210164807514719e-19 6.29971045958898e-19 6.37493265255528e-19 6.43669656179598e-19 6.485803275628079e-19 6.52297377353688e-19 6.548848926175979e-19 6.56398949536728e-19 6.568924199399999e-19 6.566536956215339e-19 6.55865424717606e-19 6.54405841804032e-19 6.521115248641439e-19 6.487838039953259e-19 6.441535135230659e-19 6.3787458329442e-19 6.294743712023579e-19 6.18315210946548e-19 6.03498281435316e-19 5.83735432654926e-19 5.571152678810159e-19 5.20686577753758e-19 4.69681284610368e-19 3.9586900708198796e-19 2.8387045165885197e-19 1.013508099488988e-19 -2.32650466846506e-19 ] } }