{ "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" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.7245676 -5.3408359 0.3087685 ] [ -25.016954 -0.988131 -4.92383 ] [ 9.5078709 -10.3749873 -8.4379248 ] [ 4.9508805 -2.1545205 6.6260205 ] [ 11.8464654 8.9004093 -24.5881783 ] [ 7.4363048 9.9580654 31.0151441 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.397829823530917e-08 -8.556962414509327e-09 4.947016719394849e-10 ] [ -4.008157882242904e-08 -1.583160386487725e-09 -7.888845310793664e-09 ] [ 1.523328846956466e-08 -1.662256209315692e-08 -1.351904584262851e-08 ] [ 7.932184989474615e-09 -3.451922374134326e-09 1.061605513404153e-08 ] [ 1.898012990299612e-08 1.426002769601089e-08 -3.939460442032189e-08 ] [ 1.191427369570282e-08 1.59545795722774e-08 4.969173876776306e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.8762512 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.414792290587945e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7489362 0.1834769 1.4651517 ] [ 0.3586125 2.4104569 1.1522571 ] [ 2.9469732 0.422434 0.4239331 ] [ 2.6993836 0.7181122 2.8372056 ] [ 2.5566506 2.6494137 0.1110371 ] [ 2.3090595 2.9450908 2.5243092 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.489362000000001e-11 1.834769e-11 1.4651517e-10 ] [ 3.586125e-11 2.4104569e-10 1.1522571e-10 ] [ 2.9469732e-10 4.22434e-11 4.239331e-11 ] [ 2.6993836e-10 7.181122e-11 2.8372056e-10 ] [ 2.5566506e-10 2.6494137e-10 1.110371e-11 ] [ 2.3090595e-10 2.9450908e-10 2.5243092e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 8.1e-06 1.1e-06 ] [ 1.5e-06 -7.4e-06 -7e-07 ] [ -4e-07 6.7e-06 1e-06 ] [ -1.8e-06 -1.2e-06 -3.4e-06 ] [ -5e-07 -6.1e-06 2e-06 ] [ 1.1e-06 -1e-07 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-16 1.297763062848e-14 1.76239428288e-15 ] [ 2.4032649312e-15 -1.185610699392e-14 -1.12152363456e-15 ] [ -6.408706483200001e-16 1.073458335936e-14 1.6021766208e-15 ] [ -2.88391791744e-15 -1.92261194496e-15 -5.44740051072e-15 ] [ -8.010883104e-16 -9.77327738688e-15 3.2043532416e-15 ] [ 1.76239428288e-15 -1.6021766208e-16 0.0 ] ] } "relaxed-potential-energy" { "source-value" -11.567729 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.853354495955016e-18 } }