{ "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" [ [ 2.648062 2.256008 1.840542 ] [ 2.082623 2.792532 4.589039 ] [ 1.893054 0.6019814 4.219017 ] [ 3.79314 0.2675402 2.698761 ] [ 5.137376 2.400602 1.294264 ] [ 4.215429 1.396012 4.868853 ] [ 4.085322 3.344134 3.585876 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.648062e-10 2.256008e-10 1.840542e-10 ] [ 2.082623e-10 2.792532e-10 4.589039e-10 ] [ 1.893054e-10 6.019814000000001e-11 4.219017e-10 ] [ 3.79314e-10 2.675402e-11 2.698761000000001e-10 ] [ 5.137376e-10 2.400602e-10 1.294264e-10 ] [ 4.215429000000001e-10 1.396012e-10 4.868853e-10 ] [ 4.085322e-10 3.344134e-10 3.585876e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1143418 0.1766544 -0.1291942 ] [ -1.1759923 1.4894851 0.3026617 ] [ -0.4300704 -1.4485788 -0.2072849 ] [ 0.3592477 -0.3193557 -0.2916216 ] [ -0.8590721 -0.1612083 0.8726084 ] [ 0.8399408 -0.6911134 0.298305 ] [ 1.1516045 0.9541167 -0.8454743 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.831957587401894e-10 2.830315496414515e-10 -2.069919267829594e-10 ] [ -1.88414736930082e-09 2.38641820424995e-09 4.849174997515833e-10 ] [ -6.890487401781043e-10 -2.320879086746519e-09 -3.321070206248659e-10 ] [ 5.755782660161722e-10 -5.116642362592186e-10 -4.672293096402893e-10 ] [ -1.37638523420156e-09 -2.582841693389126e-10 1.398072777593694e-09 ] [ 1.345733512616049e-09 -1.107285731801599e-09 4.77937296867744e-10 ] [ 1.845073806308073e-09 1.528663470254847e-09 -1.354599156947246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.669778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.670792858552619e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0332776 2.2364317 1.8446917 ] [ 2.1123724 3.2573014 4.0262034 ] [ 2.1128512 0.6900289 3.8965365 ] [ 4.3427361 0.1464501 2.7390074 ] [ 4.3771114 2.2791043 1.7629709 ] [ 4.4218297 1.1673211 4.9205163 ] [ 4.4548277 3.2821721 3.9064259 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0332776e-10 2.2364317e-10 1.8446917e-10 ] [ 2.1123724e-10 3.2573014e-10 4.0262034e-10 ] [ 2.1128512e-10 6.900289e-11 3.8965365e-10 ] [ 4.3427361e-10 1.464501e-11 2.7390074e-10 ] [ 4.3771114e-10 2.2791043e-10 1.7629709e-10 ] [ 4.4218297e-10 1.1673211e-10 4.9205163e-10 ] [ 4.4548277e-10 3.2821721e-10 3.9064259e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.25e-05 1.5e-06 1.94e-05 ] [ 9e-07 3.1e-06 -2.7e-06 ] [ 7.8e-06 6.1e-06 -6e-06 ] [ -2.3e-06 -8.9e-06 7.5e-06 ] [ 1.1e-06 1.06e-05 -1.12e-05 ] [ -9e-07 5.2e-06 -3.3e-06 ] [ -1.91e-05 -1.76e-05 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.002720776e-14 2.4032649312e-15 3.108222644352e-14 ] [ 1.44195895872e-15 4.96674752448e-15 -4.32587687616e-15 ] [ 1.249697764224e-14 9.77327738688e-15 -9.6130597248e-15 ] [ -3.68500622784e-15 -1.425937192512e-14 1.2016324656e-14 ] [ 1.76239428288e-15 1.698307218048e-14 -1.794437815296e-14 ] [ -1.44195895872e-15 8.33131842816e-15 -5.28718284864e-15 ] [ -3.060157345728e-14 -2.819830852608e-14 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }