{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.427489 -6.8600363 -8.3019567 ] [ -4.0998055 -10.397605 6.2308308 ] [ 0.2756135 6.2335507 -3.4573566 ] [ -7.1642346 4.3635571 1.71567 ] [ 1.7683757 -1.6703634 -0.3622338 ] [ 0.2688029 1.7792602 -1.9814724 ] [ 11.3787372 6.5516368 6.1565188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.889266123049171e-09 -1.099098977769933e-08 -1.330120093163392e-08 ] [ -6.568612521927255e-09 -1.665879964331318e-08 9.98289143592056e-09 ] [ 4.415815060768608e-10 9.987249196111476e-09 -5.539295914288577e-09 ] [ -1.147836918204644e-08 6.991189169145848e-09 2.748806363007936e-09 ] [ 2.833250203330835e-09 -2.676217187719999e-09 -5.80362525623543e-10 ] [ 4.306697219832403e-10 2.850689094759932e-09 -3.174668754040466e-09 ] [ 1.823074671606726e-08 1.049687930893292e-08 9.863830486875672e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.325895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.974826079943562e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2719613 1.0929921 2.7385864 ] [ 2.476454 1.865476 5.1077241 ] [ 3.3482701 4.7594395 3.5804873 ] [ 1.2413495 3.4132405 3.5811864 ] [ 4.6529497 1.8221251 2.5136901 ] [ 2.9606605 3.3790603 1.5321519 ] [ 4.5935108 2.9701236 4.6550935 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2719613e-10 1.0929921e-10 2.7385864e-10 ] [ 2.476454e-10 1.865476e-10 5.107724100000001e-10 ] [ 3.3482701e-10 4.7594395e-10 3.5804873e-10 ] [ 1.2413495e-10 3.4132405e-10 3.5811864e-10 ] [ 4.6529497e-10 1.8221251e-10 2.5136901e-10 ] [ 2.9606605e-10 3.3790603e-10 1.5321519e-10 ] [ 4.5935108e-10 2.9701236e-10 4.655093500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.7e-06 -1.7e-05 -1.47e-05 ] [ 2.55e-05 -1.07e-05 2e-07 ] [ 2.55e-05 -1.79e-05 -1.36e-05 ] [ 1.44e-05 1.03e-05 9.8e-06 ] [ 6e-07 1.58e-05 3.13e-05 ] [ -1.21e-05 1e-05 -1.3e-06 ] [ -4.52e-05 9.5e-06 -1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.393893660096e-14 -2.72370025536e-14 -2.355199632576e-14 ] [ 4.08555038304e-14 -1.714328984256e-14 3.2043532416e-16 ] [ 4.08555038304e-14 -2.867896151232001e-14 -2.178960204288e-14 ] [ 2.307134333952e-14 1.650241919424e-14 1.570133088384e-14 ] [ 9.6130597248e-16 2.531439060864e-14 5.014812823104e-14 ] [ -1.938633711168e-14 1.6021766208e-14 -2.08282960704e-15 ] [ -7.241838326016e-14 1.52206778976e-14 -1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }