{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.570151 5.1756024 -2.7964716 ] [ 3.5339282 -5.4205734 1.5230509 ] [ -2.2080828 -1.1774077 5.1081941 ] [ 0.1590323 4.5720359 5.6125725 ] [ -6.9423186 3.1569468 -5.3679485 ] [ -2.3766067 -4.3420769 5.1981369 ] [ 3.2638967 -1.964527 -9.2775343 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.322189085725741e-09 8.29222916383637e-09 -4.480441418251169e-09 ] [ 5.661977141625827e-09 -8.684715972810367e-09 2.440196544268399e-09 ] [ -3.537738638950602e-09 -1.886415090089901e-09 8.184229161528499e-09 ] [ 2.547978330120518e-10 7.325209028438288e-09 8.992332442045007e-09 ] [ -1.112282055506499e-08 5.057986356069374e-09 -8.600401588358429e-09 ] [ -3.807743691576639e-09 -6.95677409489574e-09 8.328333412897786e-09 ] [ 5.229338985446271e-09 -3.147519230330361e-09 -1.486424855413009e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -32.15371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.151592243398317e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9949641 2.0015016 3.352184 ] [ 3.0507641 5.7041064 2.4056863 ] [ 2.7446322 3.5883976 1.8404279 ] [ 4.4730424 2.2226092 1.7241005 ] [ 5.0278726 2.744578 3.798702 ] [ 4.7814873 4.3329178 2.2878146 ] [ 3.3005403 4.1113805 3.9190576 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9949641e-10 2.0015016e-10 3.352184e-10 ] [ 3.0507641e-10 5.7041064e-10 2.4056863e-10 ] [ 2.7446322e-10 3.5883976e-10 1.8404279e-10 ] [ 4.4730424e-10 2.2226092e-10 1.7241005e-10 ] [ 5.027872600000001e-10 2.744578e-10 3.798702e-10 ] [ 4.781487300000001e-10 4.3329178e-10 2.2878146e-10 ] [ 3.3005403e-10 4.1113805e-10 3.9190576e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.75e-05 -1.25e-05 -2.57e-05 ] [ -2.97e-05 3.62e-05 -7.1e-06 ] [ 3.91e-05 5.06e-05 5.79e-05 ] [ -8.8e-06 7.2e-06 8.98e-05 ] [ -2.23e-05 -6.52e-05 -2.75e-05 ] [ 1.1e-05 -1.56e-05 -7.15e-05 ] [ -5.68e-05 -7e-07 -1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.08146921904e-13 -2.002720776e-14 -4.117593915456e-14 ] [ -4.758464563776e-14 5.799879367296e-14 -1.137545400768e-14 ] [ 6.264510587328001e-14 8.107013701248e-14 9.276602634432e-14 ] [ -1.409915426304e-14 1.153567166976e-14 1.4387546054784e-13 ] [ -3.572853864384e-14 -1.0446191567616e-13 -4.4059857072e-14 ] [ 1.76239428288e-14 -2.499395528448e-14 -1.145556283872e-13 ] [ -9.100363206143999e-14 -1.12152363456e-15 -2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }