{ "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" [ [ 0.19695 0.77855 2.710152 ] [ 1.11009 0.0001542 2.008775 ] [ 0.4144899 1.96716 0.2031325 ] [ 1.283205 2.99395 1.505794 ] [ 2.698669 0.3602939 2.825256 ] [ 2.163799 2.696333 2.742799 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9695e-11 7.7855e-11 2.710152e-10 ] [ 1.11009e-10 1.542e-14 2.008775e-10 ] [ 4.144899e-11 1.96716e-10 2.031325e-11 ] [ 1.283205e-10 2.99395e-10 1.505794e-10 ] [ 2.698669e-10 3.602939e-11 2.825256e-10 ] [ 2.163799e-10 2.696333e-10 2.742799e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 45.4079244 -21.7457404 -31.1836134 ] [ -52.2820987 19.4998411 17.0797177 ] [ -4.4652936 -7.1946117 -2.5598447 ] [ -9.3551241 11.0137529 -9.1050572 ] [ 12.4554784 0.2695972 9.3506661 ] [ 8.2391135 -1.8428391 16.4181315 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.275151547211847e-08 -3.484051715790981e-08 -4.996165675316929e-08 ] [ -8.376515691362176e-08 3.124218977713286e-08 2.736472461425622e-08 ] [ -7.154189069869742e-09 -1.152703875644302e-08 -4.101323365008739e-09 ] [ -1.498856124119028e-08 1.764597754902974e-08 -1.458790989707346e-08 ] [ 1.99558764577717e-08 4.319423344318247e-10 1.49814187377559e-08 ] [ 1.320051513457396e-08 -2.952553746241589e-09 2.630474666323937e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 7.1797833443573795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.150328111151177e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2368764 0.189024 2.8659484 ] [ 1.0109071 0.0598551 2.1466922 ] [ 0.3842767 2.1395986 -0.0632568 ] [ 1.2736044 3.1562813 1.3840388 ] [ 2.5438295 0.3805314 2.8645297 ] [ 2.4177087 2.8711507 2.7979562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.368764e-11 1.89024e-11 2.8659484e-10 ] [ 1.0109071e-10 5.98551e-12 2.1466922e-10 ] [ 3.842767e-11 2.1395986e-10 -6.325680000000001e-12 ] [ 1.2736044e-10 3.1562813e-10 1.3840388e-10 ] [ 2.5438295e-10 3.805314e-11 2.8645297e-10 ] [ 2.4177087e-10 2.8711507e-10 2.7979562e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 104.7901738 -23.4835653 -120.3936695 ] [ -86.0876548 7.6899349 137.9495032 ] [ 5.2213884 10.7622149 -14.561658 ] [ -34.9616098 13.2858929 1.7839915 ] [ -22.7842034 4.7964204 0.8508884 ] [ 33.8219058 -13.0508978 -5.6290556 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.67892367935159e-07 -3.76248196066732e-08 -1.928919241544184e-07 ] [ -1.379276289964179e-07 1.232063401376113e-08 2.210194706989482e-07 ] [ 8.365586491518645e-09 1.724296924286664e-08 -2.333034819989917e-08 ] [ -5.60146743085854e-08 2.12863471662065e-08 2.858269496554611e-09 ] [ -3.650431831178335e-08 7.684712691720933e-09 1.363273512621645e-09 ] [ 5.418866719010907e-08 -2.0909843507882e-08 -9.018741353806851e-09 ] ] } "relaxed-potential-energy" { "source-value" -3428.0709540556427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.492375182282038e-16 } }