{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8706249 -1.5777472 -4.2498118 ] [ -2.5029014 1.958645 -1.1155983 ] [ -0.2286463 -1.8773997 4.63991 ] [ -1.7701156 2.7386254 -2.9022644 ] [ 0.8849617 -0.3856133 0.121423 ] [ 2.1121475 0.6008802 -0.5062446 ] [ 0.6339292 -1.4573905 4.0125861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.394894860266338e-09 -2.527829677372662e-09 -6.808949108759965e-09 ] [ -4.010090107247589e-09 3.138095227446816e-09 -1.787385514464225e-09 ] [ -3.663317562924231e-10 -3.007925907236934e-09 7.433955324616129e-09 ] [ -2.836037830433365e-09 4.387761589009048e-09 -4.64994016906014e-09 ] [ 1.417864946043423e-09 -6.178206139295367e-10 1.945410918273984e-10 ] [ 3.384033344181168e-09 9.627162083416282e-10 -8.110932625262477e-10 ] [ 1.015666543482447e-09 -2.334996986476023e-09 6.428871638367051e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.064585 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.413612588905437e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7492849 1.5562745 0.7917413 ] [ 1.0503717 2.7550003 1.8774777 ] [ 1.5698489 1.5312044 3.8099664 ] [ 2.6014426 4.4331813 2.4975285 ] [ 4.0021896 1.2755785 3.0186534 ] [ 4.3278845 3.2642646 1.4227725 ] [ 3.1484778 3.2391653 4.4410142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7492849e-10 1.5562745e-10 7.917413e-11 ] [ 1.0503717e-10 2.7550003e-10 1.8774777e-10 ] [ 1.5698489e-10 1.5312044e-10 3.8099664e-10 ] [ 2.6014426e-10 4.4331813e-10 2.4975285e-10 ] [ 4.002189600000001e-10 1.2755785e-10 3.0186534e-10 ] [ 4.3278845e-10 3.2642646e-10 1.4227725e-10 ] [ 3.1484778e-10 3.2391653e-10 4.4410142e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.73e-05 5.5e-06 -3.5e-06 ] [ 1.55e-05 -1.36e-05 -2.06e-05 ] [ 9.3e-06 -1.12e-05 1.24e-05 ] [ 2.32e-05 3e-07 -2.4e-06 ] [ 6e-06 4e-07 -2.26e-05 ] [ -1.16e-05 -5.3e-06 2.37e-05 ] [ -1.53e-05 2.39e-05 1.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.373942174784e-14 8.8119714144e-15 -5.6076181728e-15 ] [ 2.48337376224e-14 -2.178960204288e-14 -3.300483838848e-14 ] [ 1.490024257344e-14 -1.794437815296e-14 1.986699009792e-14 ] [ 3.717049760256e-14 4.8065298624e-16 -3.84522388992e-15 ] [ 9.6130597248e-15 6.408706483200001e-16 -3.620919163008e-14 ] [ -1.858524880128e-14 -8.491536090240001e-15 3.797158591296e-14 ] [ -2.451330229824e-14 3.829202123712e-14 2.050786074624e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.320543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.93527456749611e-18 } }