{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2563143 0.3031235 -0.4219103 ] [ 0.5040251 0.0619665 0.5372794 ] [ -2.3993531 0.0687008 1.4232736 ] [ -1.3789861 -3.1305578 -0.6847808 ] [ -0.4634995 0.6095434 0.2201146 ] [ 2.9801429 2.0784519 -1.7046344 ] [ 1.013985 0.0087716 0.6306578 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.106607790367174e-10 4.856573849150688e-10 -6.759748187347143e-10 ] [ 8.075372315163821e-10 9.92812775728032e-11 8.608164935174515e-10 ] [ -3.844187441864004e-09 1.100708155902566e-10 2.280335686921851e-09 ] [ -2.209379289828171e-09 -5.015706517223083e-09 -1.097139788132721e-09 ] [ -7.426080626524896e-10 9.765961848429428e-10 3.526624660167437e-10 ] [ 4.774715281023113e-09 3.33004704163734e-09 -2.731125382691436e-09 ] [ 1.624583060841888e-09 1.405365244700928e-11 1.010425182885162e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.031392085572456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.126553201118234e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1495219 1.2324427 3.7807416 ] [ 1.3123082 2.6015991 3.8346381 ] [ 1.9603381 4.6844056 3.1312092 ] [ 2.8000155 2.7547879 1.9250857 ] [ 3.4212652 3.4812028 4.6481547 ] [ 4.1980368 4.6024776 2.6425096 ] [ 4.9329994 2.469059 3.0439832 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1495219e-10 1.2324427e-10 3.7807416e-10 ] [ 1.3123082e-10 2.6015991e-10 3.8346381e-10 ] [ 1.9603381e-10 4.6844056e-10 3.1312092e-10 ] [ 2.8000155e-10 2.754787900000001e-10 1.9250857e-10 ] [ 3.4212652e-10 3.4812028e-10 4.6481547e-10 ] [ 4.1980368e-10 4.6024776e-10 2.6425096e-10 ] [ 4.9329994e-10 2.469059e-10 3.0439832e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.28e-05 -1.14e-05 3.09e-05 ] [ 2.83e-05 -1e-06 3.51e-05 ] [ -1.5e-06 -1.11e-05 -1.68e-05 ] [ -7.8e-06 1.03e-05 -3.02e-05 ] [ -1.49e-05 1e-06 -5.97e-05 ] [ -2.4e-06 2.04e-05 5.23e-05 ] [ 3.11e-05 -8.1e-06 -1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.255139316223999e-14 -1.826481347712e-14 4.950725758272e-14 ] [ 4.534159836864e-14 -1.6021766208e-15 5.623639939008e-14 ] [ -2.4032649312e-15 -1.778416049088e-14 -2.691656722944e-14 ] [ -1.249697764224e-14 1.650241919424e-14 -4.838573394816e-14 ] [ -2.387243164992e-14 1.6021766208e-15 -9.564994426176e-14 ] [ -3.84522388992e-15 3.268440306432e-14 8.379383726784e-14 ] [ 4.982769290688e-14 -1.297763062848e-14 -1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }