{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.1046279 -5.0438117 -23.1698514 ] [ -13.6974445 -14.3278234 11.2113393 ] [ 24.0981735 -26.688423 2.907189 ] [ 6.1241685 12.2012111 33.3472296 ] [ 18.1949251 4.2530722 -5.9129302 ] [ -8.0466741 16.0243387 -23.8583904 ] [ -0.5685206 13.5814362 5.4754141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.18242245160634e-08 -8.081077185457504e-09 -3.712219422049014e-08 ] [ -2.194572534260555e-08 -2.295570367843117e-08 1.796254571431624e-08 ] [ 3.860953018568211e-08 -4.2759567376621e-08 4.657830248046931e-09 ] [ 9.811999592539806e-09 1.954849516986545e-08 5.342815163356973e-08 ] [ 2.91514836124271e-08 6.814172845414421e-09 -9.47355852686227e-09 ] [ -1.289219311821688e-08 2.567382082892067e-08 -3.822535530879916e-08 ] [ -9.108704137631886e-10 2.175985955652679e-08 8.772580460218673e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.659615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.989599890612899e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7340048 2.1379481 1.578338 ] [ 2.7124226 1.2520139 3.5396837 ] [ 4.9383049 0.8912298 2.8263187 ] [ 2.8309415 3.1762244 4.9097195 ] [ 5.3442581 2.6562868 1.3011461 ] [ 3.3145511 3.8700971 1.2773349 ] [ 3.2368491 4.9412576 3.3845103 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7340048e-10 2.1379481e-10 1.578338e-10 ] [ 2.7124226e-10 1.2520139e-10 3.5396837e-10 ] [ 4.938304900000001e-10 8.912298e-11 2.8263187e-10 ] [ 2.8309415e-10 3.1762244e-10 4.9097195e-10 ] [ 5.3442581e-10 2.6562868e-10 1.3011461e-10 ] [ 3.3145511e-10 3.8700971e-10 1.2773349e-10 ] [ 3.2368491e-10 4.941257600000001e-10 3.3845103e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.98e-05 1.5e-06 -3.05e-05 ] [ -9e-06 8e-07 3.53e-05 ] [ 4.25e-05 1e-05 9.8e-06 ] [ -5.9e-06 -2.7e-05 -2.9e-06 ] [ -1.02e-05 -3.33e-05 -3.1e-06 ] [ -7e-06 3.6e-05 -1.54e-05 ] [ 9.4e-06 1.2e-05 6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.172309709184e-14 2.4032649312e-15 -4.88663869344e-14 ] [ -1.44195895872e-14 1.28174129664e-15 5.655683471424e-14 ] [ 6.8092506384e-14 1.6021766208e-14 1.570133088384e-14 ] [ -9.45284206272e-15 -4.32587687616e-14 -4.646312200320001e-15 ] [ -1.634220153216e-14 -5.335248147264001e-14 -4.96674752448e-15 ] [ -1.12152363456e-14 5.76783583488e-14 -2.467351996032e-14 ] [ 1.506046023552e-14 1.92261194496e-14 1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }