{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8682809 -0.8943263 -0.8181921 ] [ 0.4639933 7.2061214 -11.5125561 ] [ -17.4732883 4.3267682 5.8963397 ] [ 3.940351 -2.157844 -2.3245543 ] [ 13.9372249 -8.4807193 8.7589627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.391139358267183e-09 -1.432868689226567e-09 -1.310888253943256e-09 ] [ 7.433992174678406e-10 1.154547923372656e-08 -1.844514822906843e-08 ] [ -2.799529400275818e-08 6.932246853660899e-09 9.446977615634886e-09 ] [ 6.313138249945902e-09 -3.457247208133555e-09 -3.724346553240109e-09 ] [ 2.232989589361162e-08 -1.358761019002734e-08 1.403340526039924e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.446977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.193137244503532e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5292466 1.0848393 0.3968458 ] [ 1.5284187 3.2689499 0.9322327 ] [ 0.0400607 2.0959423 2.5020144 ] [ 2.8623821 1.2017329 0.8828442 ] [ 2.3731912 2.2128283 2.9880219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.292466e-11 1.0848393e-10 3.968458000000001e-11 ] [ 1.5284187e-10 3.2689499e-10 9.322327e-11 ] [ 4.00607e-12 2.0959423e-10 2.5020144e-10 ] [ 2.8623821e-10 1.2017329e-10 8.828442e-11 ] [ 2.3731912e-10 2.2128283e-10 2.9880219e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.11e-05 -1.27e-05 -2.35e-05 ] [ -4.51e-05 2.25e-05 8.1e-06 ] [ 5.8e-06 1.92e-05 -1.88e-05 ] [ 1.48e-05 -2.12e-05 1.51e-05 ] [ 3.57e-05 -7.8e-06 1.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.778416049088e-14 -2.034764308416e-14 -3.76511505888e-14 ] [ -7.225816559807999e-14 3.604897396800001e-14 1.297763062848e-14 ] [ 9.292624400640001e-15 3.076179111936e-14 -3.012092047104e-14 ] [ 2.371221398784e-14 -3.396614436096001e-14 2.419286697408e-14 ] [ 5.719770536256001e-14 -1.249697764224e-14 3.060157345728e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }