{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.034718 3.53714 2.04977 ] [ 2.090115 3.249613 4.258758 ] [ 4.260617 1.92046 3.281861 ] [ 5.152468 4.155846 3.194292 ] [ 3.505339 5.178097 3.977293 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.034718e-10 3.53714e-10 2.04977e-10 ] [ 2.090115e-10 3.249613e-10 4.258758e-10 ] [ 4.260617e-10 1.92046e-10 3.281861e-10 ] [ 5.152468e-10 4.155846e-10 3.194292e-10 ] [ 3.505339e-10 5.178097e-10 3.977293e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4753211 0.9848612 -3.345394 ] [ -0.3837457 -1.6119416 1.1387822 ] [ -0.2419498 -1.937964 1.499339 ] [ 6.5383238 -1.8752011 -2.0100118 ] [ -4.4373072 4.4402455 2.7172846 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.363724974592939e-09 1.577921589373033e-09 -5.359912054164595e-09 ] [ -6.148283888725306e-10 -2.582615145614945e-09 1.82453021702319e-09 ] [ -3.876463129672358e-10 -3.104960612752051e-09 2.402205892453651e-09 ] [ 1.047554953158021e-08 -3.004403361718443e-09 -3.220393913492125e-09 ] [ -7.10934985514751e-09 7.114057530712406e-09 4.35356985817988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5819541 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.374980621979871e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0303949 3.7070625 1.9184173 ] [ 2.1411026 3.0866054 4.3267282 ] [ 4.1738534 1.8615908 3.4225865 ] [ 5.3653278 4.0804406 3.0950525 ] [ 3.3325783 5.3054567 3.9991895 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0303949e-10 3.707062500000001e-10 1.9184173e-10 ] [ 2.1411026e-10 3.0866054e-10 4.3267282e-10 ] [ 4.1738534e-10 1.8615908e-10 3.4225865e-10 ] [ 5.365327800000001e-10 4.0804406e-10 3.0950525e-10 ] [ 3.3325783e-10 5.3054567e-10 3.9991895e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.68e-05 4.2e-06 1.13e-05 ] [ 2.41e-05 -2.7e-06 -6e-06 ] [ -2.38e-05 2.14e-05 6.6e-06 ] [ -2.46e-05 5.9e-06 -2e-07 ] [ 7.6e-06 -2.87e-05 -1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.691656722944e-14 6.72914180736e-15 1.810459581504e-14 ] [ 3.861245656128e-14 -4.32587687616e-15 -9.6130597248e-15 ] [ -3.813180357504e-14 3.428657968511999e-14 1.057436569728e-14 ] [ -3.941354487168e-14 9.45284206272e-15 -3.2043532416e-16 ] [ 1.217654231808e-14 -4.598246901696e-14 -1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.338031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.656335157330565e-18 } }