{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3452231 6.2191547 -3.0051075 ] [ -4.6221264 -3.3868725 2.201775 ] [ -10.5698056 2.8962835 0.3314767 ] [ -0.605192 -4.9983311 -2.4144197 ] [ 5.0880004 -7.3286029 -2.3792895 ] [ 1.842353 -2.1550821 -3.0388249 ] [ 6.5215477 8.7534505 8.3043899 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.757461621380101e-09 9.964184261478439e-09 -4.814712979490736e-09 ] [ -7.405462856462469e-09 -5.426367937130448e-09 3.52763242926192e-09 ] [ -1.693469541872092e-08 4.640357710908797e-09 5.310842190799355e-10 ] [ -9.696244734951936e-10 -8.008209231437547e-09 -3.868326796138949e-09 ] [ 8.151875287501049e-09 -1.174171622950708e-08 -3.812042011014921e-09 ] [ 2.951774903860742e-09 -3.452822156524568e-09 -4.868734209484898e-09 ] [ 1.044867125637201e-08 1.402457374243007e-08 1.330509934778765e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.794946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.331717631199848e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4755709 1.6261885 2.9107502 ] [ 2.0509996 3.5352023 1.3668754 ] [ 2.1596063 3.8842097 3.8009414 ] [ 3.6197812 1.4762195 1.5920913 ] [ 3.7284087 1.8252533 4.0261442 ] [ 4.3020955 3.5137057 0.4782135 ] [ 4.4797758 4.084663 4.459936 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4755709e-10 1.6261885e-10 2.9107502e-10 ] [ 2.0509996e-10 3.5352023e-10 1.3668754e-10 ] [ 2.1596063e-10 3.8842097e-10 3.8009414e-10 ] [ 3.6197812e-10 1.4762195e-10 1.5920913e-10 ] [ 3.7284087e-10 1.8252533e-10 4.0261442e-10 ] [ 4.3020955e-10 3.5137057e-10 4.782135e-11 ] [ 4.4797758e-10 4.084663e-10 4.459936e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 5.52e-05 -3.6e-06 ] [ -2.28e-05 -6.53e-05 0.0001083 ] [ -2.12e-05 -2.94e-05 -8.83e-05 ] [ -2.29e-05 3.25e-05 -4.81e-05 ] [ 1.51e-05 7.9e-06 6.42e-05 ] [ 5.03e-05 2e-05 -2.1e-05 ] [ 5.5e-06 -2.09e-05 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-15 8.844014946816001e-14 -5.76783583488e-15 ] [ -3.652962695424e-14 -1.0462213333824e-13 1.7351572803264e-13 ] [ -3.396614436096001e-14 -4.710399265152e-14 -1.4147219561664e-13 ] [ -3.668984461632e-14 5.207074017599999e-14 -7.706469546047999e-14 ] [ 2.419286697408e-14 1.265719530432e-14 1.0285973905536e-13 ] [ 8.058948402624e-14 3.2043532416e-14 -3.36457090368e-14 ] [ 8.8119714144e-15 -3.348549137472e-14 -1.84250311392e-14 ] ] } "relaxed-potential-energy" { "source-value" -25.364145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.063784012558122e-18 } }