{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.570437 1.678388 2.565083 ] [ 2.924882 3.183881 4.210831 ] [ 1.144354 3.791418 3.165706 ] [ 4.144212 1.310941 0.7169232 ] [ 4.636642 2.415393 2.866782 ] [ 3.821758 3.649635 1.198039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.570437e-10 1.678388e-10 2.565083e-10 ] [ 2.924882e-10 3.183881e-10 4.210831e-10 ] [ 1.144354e-10 3.791418000000001e-10 3.165706e-10 ] [ 4.144212e-10 1.310941e-10 7.169232e-11 ] [ 4.636642e-10 2.415393e-10 2.866782e-10 ] [ 3.821758e-10 3.649635e-10 1.198039e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.980487 5.2409504 -2.5756706 ] [ 5.8062985 -3.046259 -1.8940624 ] [ -0.5764867 -1.7491542 -3.5329537 ] [ -2.329072 6.0925507 7.228552 ] [ -3.0706543 -0.3373726 -2.0236997 ] [ -1.8105725 -6.2007153 2.7978345 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.17308996919833e-09 8.396928201652408e-09 -4.126679218201909e-09 ] [ 9.302715710086109e-09 -4.880644950701587e-09 -3.034622495616338e-09 ] [ -9.236335129421435e-10 -2.802453965414127e-09 -5.660415820508857e-09 ] [ -3.731584706559898e-09 9.761342292578675e-09 1.158141701663708e-08 ] [ -4.91973053001899e-09 -5.405304922185101e-10 -3.242324346859973e-09 ] [ -2.900856929763408e-09 -9.934641085896859e-09 4.482625024767658e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.497114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.565740981107238e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5635953 1.7050646 2.5930317 ] [ 3.1744512 3.3389041 3.9596258 ] [ 1.4080462 3.5866239 2.6395271 ] [ 3.9438324 1.6437562 0.8699797 ] [ 4.7121664 2.1607392 2.8865632 ] [ 3.4401936 3.594568 1.7746367 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5635953e-10 1.7050646e-10 2.5930317e-10 ] [ 3.1744512e-10 3.3389041e-10 3.9596258e-10 ] [ 1.4080462e-10 3.5866239e-10 2.6395271e-10 ] [ 3.9438324e-10 1.6437562e-10 8.699797e-11 ] [ 4.7121664e-10 2.1607392e-10 2.8865632e-10 ] [ 3.4401936e-10 3.594568e-10 1.7746367e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.02e-05 3.03e-05 -1.46e-05 ] [ 2.52e-05 2.71e-05 1.8e-05 ] [ -9.19e-05 4.23e-05 -8.7e-06 ] [ 3.88e-05 -1.82e-05 -2.69e-05 ] [ -9.5e-06 3.2e-06 -4.53e-05 ] [ 7.2e-06 -8.46e-05 7.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.838573394816e-14 4.854595161024e-14 -2.339177866368e-14 ] [ 4.037485084416e-14 4.341898642368e-14 2.88391791744e-14 ] [ -1.4724003145152e-13 6.777207105984e-14 -1.393893660096e-14 ] [ 6.216445288704e-14 -2.915961449856e-14 -4.309855109952001e-14 ] [ -1.52206778976e-14 5.126965186560001e-15 -7.257860092224001e-14 ] [ 1.153567166976e-14 -1.3554414211968e-13 1.24168688112e-13 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }