{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6113566 -5.4469564 4.9092066 ] [ -2.3423348 5.6542029 -2.2021472 ] [ -10.8735803 2.9288831 -6.9672859 ] [ -0.9375361 7.5133727 2.8372049 ] [ 6.0236744 -6.7601538 -2.7878548 ] [ 3.5891472 -0.8645547 0.3974924 ] [ 6.1519862 -3.0247938 3.813384 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.581677872291777e-09 -8.726986198596934e-09 7.865416041197057e-09 ] [ -3.752834054646244e-09 9.05903169563956e-09 -3.528228759400182e-09 ] [ -1.742139614105145e-08 4.692588027876229e-09 -1.116282257940949e-08 ] [ -1.502098420576011e-09 1.203775008329697e-08 4.545703359199202e-09 ] [ 9.650990294991468e-09 -1.083096037137228e-08 -4.46663578274506e-09 ] [ 5.750447732449782e-09 -1.385169327742758e-09 6.36853030225682e-10 ] [ 9.856568461124232e-09 -4.846253909100791e-09 6.109714690932788e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.055506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.771287324431413e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3727291 2.9058134 3.7865908 ] [ 2.8787628 5.6110142 0.830643 ] [ 0.911682 3.9361818 1.4889065 ] [ 2.2190991 5.3287707 3.3014832 ] [ 3.2528396 3.007801 0.96264 ] [ 5.1210732 4.6950472 1.659273 ] [ 3.8782132 3.3459048 3.4530164 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3727291e-10 2.9058134e-10 3.7865908e-10 ] [ 2.8787628e-10 5.6110142e-10 8.306430000000001e-11 ] [ 9.11682e-11 3.9361818e-10 1.4889065e-10 ] [ 2.2190991e-10 5.3287707e-10 3.3014832e-10 ] [ 3.252839600000001e-10 3.007801000000001e-10 9.626400000000001e-11 ] [ 5.1210732e-10 4.6950472e-10 1.659273e-10 ] [ 3.8782132e-10 3.3459048e-10 3.4530164e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 5.3e-06 -8e-07 ] [ 3.4e-06 2.7e-06 5.3e-06 ] [ -2.2e-06 -2.1e-06 1.2e-06 ] [ -7e-06 1e-06 -2.4e-06 ] [ 5e-06 5e-07 0.0 ] [ -3.5e-06 -2.3e-06 -5e-06 ] [ 2e-06 -5.1e-06 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 8.491536090240001e-15 -1.28174129664e-15 ] [ 5.44740051072e-15 4.32587687616e-15 8.491536090240001e-15 ] [ -3.52478856576e-15 -3.36457090368e-15 1.92261194496e-15 ] [ -1.12152363456e-14 1.6021766208e-15 -3.84522388992e-15 ] [ 8.010883104e-15 8.010883104e-16 0.0 ] [ -5.6076181728e-15 -3.68500622784e-15 -8.010883104e-15 ] [ 3.2043532416e-15 -8.17110076608e-15 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.961949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.717603813100194e-18 } }