{ "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" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.804906 3.78562 3.765267 3.743721 3.720833 3.696426 3.670282 3.642137 3.611658 3.578422 3.541881 3.501304 3.455687 3.403599 3.342897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.804906e-10 3.7856200000000005e-10 3.765267e-10 3.743721e-10 3.720833e-10 3.6964260000000003e-10 3.670282e-10 3.642137e-10 3.611658e-10 3.5784220000000006e-10 3.541881e-10 3.5013040000000003e-10 3.4556870000000003e-10 3.4035989999999997e-10 3.342897e-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" [ 0.81092 1.21168 1.56631 1.89085 2.19236 2.47444 2.74033 2.99054 3.2256 3.44651 3.65309 3.84534 4.02341 4.18743 4.33692 4.4717 4.59159 4.69665 4.78627 4.86014 4.91797 4.95967 4.98537 4.99401 4.98966 4.97501 4.94713 4.90213 4.83479 4.73803 4.60202 4.41289 4.15072 3.78623 3.27317 2.53862 1.46078 -0.177528 -2.79156 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.299237065339136e-19 1.9413253678909443e-19 2.509505262925248e-19 3.02947566343968e-19 3.512547936377088e-19 3.9644899175723523e-19 4.390492659276865e-19 4.791373271567232e-19 5.16798090805248e-19 5.521917745353408e-19 5.852895391678273e-19 6.160913847027073e-19 6.446213437892929e-19 6.709002447236544e-19 6.948511830279937e-19 7.164453195231361e-19 7.356538150299072e-19 7.524862826080321e-19 7.668449894836417e-19 7.786802681814913e-19 7.879456555795777e-19 7.946267320883136e-19 7.987443260037696e-19 8.001286066041409e-19 7.994316597740928e-19 7.970844710246209e-19 7.926176026058304e-19 7.854078078122304e-19 7.746187504477632e-19 7.591160894649025e-19 7.373248852454017e-19 7.070229188162112e-19 6.650186543486976e-19 6.066209186971585e-19 5.2441964499039365e-19 4.067317613095296e-19 2.340427564132224e-19 -2.844312111373824e-20 -4.472572167560448e-19 ] } }