{ "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" [ [ 1.426259 1.696941 2.248909 ] [ 1.360678 2.530518 4.32015 ] [ 2.124458 3.992448 3.096339 ] [ 3.479806 2.793816 1.249034 ] [ 3.515691 1.341825 3.018021 ] [ 4.217135 3.723991 3.061085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.426259e-10 1.696941e-10 2.248909e-10 ] [ 1.360678e-10 2.530518e-10 4.32015e-10 ] [ 2.124458e-10 3.992448e-10 3.096339e-10 ] [ 3.479806e-10 2.793816e-10 1.249034e-10 ] [ 3.515691e-10 1.341825e-10 3.018021e-10 ] [ 4.217135e-10 3.723991e-10 3.061085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9340756 -0.337468 -1.807295 ] [ -1.0941961 -2.3908201 3.3281907 ] [ -1.8127562 3.7854415 -2.1769226 ] [ -0.9720232 -0.4134659 -2.6021495 ] [ 1.1300517 -1.0985694 1.399377 ] [ 3.6829994 0.454882 1.8587994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.496554088379733e-09 -5.406833398681344e-10 -2.895605795888736e-09 ] [ -1.753095409990539e-09 -3.830516068758718e-09 5.332349329103987e-09 ] [ -2.904355602850249e-09 6.064945870706084e-09 -3.48781449501115e-09 ] [ -1.557352845915203e-09 -6.624453984780308e-10 -4.16910309272641e-09 ] [ 1.810542414035296e-09 -1.760102209006283e-09 2.242049113085242e-09 ] [ 5.900815533100427e-09 7.288013056227456e-10 2.978124941437068e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.591719 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.978721752228316e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3268816 1.8257053 2.1520621 ] [ 1.9850285 2.5323471 4.4222789 ] [ 1.8512069 4.1937704 2.6034466 ] [ 3.3896463 2.8274998 1.2422336 ] [ 3.5234687 1.166076 3.0610667 ] [ 4.047795 3.5341404 3.5124501 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3268816e-10 1.8257053e-10 2.1520621e-10 ] [ 1.9850285e-10 2.5323471e-10 4.4222789e-10 ] [ 1.8512069e-10 4.1937704e-10 2.6034466e-10 ] [ 3.3896463e-10 2.8274998e-10 1.2422336e-10 ] [ 3.5234687e-10 1.166076e-10 3.0610667e-10 ] [ 4.047795e-10 3.5341404e-10 3.5124501e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 -5e-07 2e-06 ] [ -1.5e-06 -4e-06 6.8e-06 ] [ 6.9e-06 -9e-06 -8e-07 ] [ 5.4e-06 2.9e-06 -7.3e-06 ] [ -6.2e-06 9.3e-06 0.0 ] [ -1.4e-06 1.3e-06 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.126965186560001e-15 -8.010883104e-16 3.2043532416e-15 ] [ -2.4032649312e-15 -6.4087064832e-15 1.089480102144e-14 ] [ 1.105501868352e-14 -1.44195895872e-14 -1.28174129664e-15 ] [ 8.65175375232e-15 4.646312200320001e-15 -1.169588933184e-14 ] [ -9.93349504896e-15 1.490024257344e-14 0.0 ] [ -2.24304726912e-15 2.08282960704e-15 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.568499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.295436822274818e-18 } }