{ "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" [ [ 2.1543295 3.0027549 0.1182128 ] [ -0.5858721 1.6010144 1.2294465 ] [ -6.3661475 -2.3571402 -1.36017 ] [ 1.6353427 -2.6039095 1.2872939 ] [ -1.6383364 0.3420951 -0.6872897 ] [ 5.1618096 2.308908 0.822301 ] [ -0.3611257 -2.2937227 -1.4097944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.451616358399753e-09 4.810943698772641e-09 1.893977844393063e-10 ] [ -9.386705813989997e-10 2.56510784124414e-09 1.969790438824387e-09 ] [ -1.019969268906437e-08 -3.776554920387836e-09 -2.179232574313536e-09 ] [ 2.620107840935949e-09 -4.171922923579018e-09 2.062472190678453e-09 ] [ -2.624904277085637e-09 5.480967713102382e-10 -1.101159489056646e-09 ] [ 8.270130662141e-09 3.699278417178087e-09 1.317471437460461e-09 ] [ -5.785871537100346e-10 -3.674948884538252e-09 -2.258739627814764e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.67059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.831140617374228e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3183889 2.0719333 3.2840325 ] [ 3.1463995 5.2225796 2.5496464 ] [ 2.3975976 3.4212801 1.3035447 ] [ 4.4134481 2.1621259 1.8837288 ] [ 5.4332976 3.190724 3.7579474 ] [ 5.371349 4.8213549 2.0904779 ] [ 3.2928224 3.8154932 4.4585953 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3183889e-10 2.0719333e-10 3.2840325e-10 ] [ 3.1463995e-10 5.2225796e-10 2.5496464e-10 ] [ 2.3975976e-10 3.4212801e-10 1.3035447e-10 ] [ 4.4134481e-10 2.1621259e-10 1.8837288e-10 ] [ 5.433297600000001e-10 3.190724e-10 3.7579474e-10 ] [ 5.371349000000001e-10 4.8213549e-10 2.0904779e-10 ] [ 3.2928224e-10 3.8154932e-10 4.4585953e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 4.78e-05 -2.66e-05 ] [ -2.19e-05 -2.91e-05 -1.49e-05 ] [ -2.97e-05 2.2e-06 3.4e-06 ] [ 4.08e-05 8.3e-06 3.7e-06 ] [ 5e-06 5.8e-06 7.7e-06 ] [ 8.9e-06 -1.5e-05 -1.04e-05 ] [ 1.23e-05 -1.99e-05 3.71e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 7.658404247424001e-14 -4.261789811328e-14 ] [ -3.508766799552e-14 -4.662333966527999e-14 -2.387243164992e-14 ] [ -4.758464563776e-14 3.52478856576e-15 5.44740051072e-15 ] [ 6.536880612864e-14 1.329806595264e-14 5.928053496960001e-15 ] [ 8.010883104e-15 9.292624400640001e-15 1.233675998016e-14 ] [ 1.425937192512e-14 -2.4032649312e-14 -1.666263685632e-14 ] [ 1.970677243584e-14 -3.188331475392e-14 5.944075263168e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }