{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.518173 -3.1411705 -10.5119318 ] [ 2.2446757 -10.5727427 29.7661037 ] [ -32.0454016 2.1991767 -16.3105109 ] [ -3.6585857 3.4677957 -47.9447138 ] [ 11.0871414 -5.2136222 32.1251017 ] [ 11.5316119 2.7407432 -17.6163651 ] [ 16.3587312 10.5198196 30.4923162 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.841087842969681e-09 -5.032709978510096e-09 -1.684197150816156e-08 ] [ 3.596366957447594e-09 -1.693940131123407e-08 4.769055583336094e-08 ] [ -5.13423936706662e-08 3.523469522777227e-09 -2.613231945258231e-08 ] [ -5.861700522026534e-09 5.556021242025673e-09 -7.681590017417736e-08 ] [ 1.776355888893405e-08 -8.353143667343674e-09 5.147008730861367e-08 ] [ 1.847567913853634e-08 4.391154714834388e-09 -2.822452853923307e-08 ] [ 2.620957689052678e-08 1.685460915701522e-08 4.885407653217967e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.4633998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.516203803776027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8068816 1.3988001 2.4598286 ] [ 2.6142725 1.5712209 5.0540678 ] [ 1.2659923 4.0541575 2.7209802 ] [ 4.2954265 1.9129031 1.568835 ] [ 5.2494173 2.1156087 4.1105847 ] [ 3.9011353 4.5985436 1.7774963 ] [ 3.4403744 4.3487082 4.6552144 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8068816e-10 1.3988001e-10 2.4598286e-10 ] [ 2.6142725e-10 1.5712209e-10 5.0540678e-10 ] [ 1.2659923e-10 4.0541575e-10 2.7209802e-10 ] [ 4.2954265e-10 1.9129031e-10 1.568835e-10 ] [ 5.2494173e-10 2.1156087e-10 4.1105847e-10 ] [ 3.9011353e-10 4.598543600000001e-10 1.7774963e-10 ] [ 3.4403744e-10 4.3487082e-10 4.6552144e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.3e-06 2e-06 1.2e-06 ] [ -7.2e-06 7e-07 -8.8e-06 ] [ -1.38e-05 -1.42e-05 8e-07 ] [ -1.28e-05 -2.02e-05 -3.5e-06 ] [ -6e-07 9.2e-06 2.6e-06 ] [ 1.42e-05 1.99e-05 -1.5e-06 ] [ 1.19e-05 2.6e-06 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.32980660622e-14 3.204353268e-15 1.9226119608e-15 ] [ -1.15356717648e-14 1.1215236438e-15 -1.40991543792e-14 ] [ -2.21100375492e-14 -2.27509082028e-14 1.2817413072e-15 ] [ -2.05078609152e-14 -3.236396800679999e-14 -5.607618218999999e-15 ] [ -9.613059803999998e-16 1.47400250328e-14 4.165659248399999e-15 ] [ 2.27509082028e-14 3.18833150166e-14 -2.403264951e-15 ] [ 1.90659019446e-14 4.165659248399999e-15 1.49002426962e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337415029714e-18 } }