{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.25252979999999997 -1.3228569999999997 2.2802878999999994 ] [ 1.8770719999999999 -2.4055149999999994 -4.9799527999999995 ] [ -0.9913773999999999 0.6514813999999999 5.5975627999999995 ] [ -1.4518699999999998 0.8598695999999999 -1.1764817999999997 ] [ -2.2663299999999995 -5.509925599999999 -4.334720099999999 ] [ 4.426581199999999 5.725517099999999 3.2754022999999997 ] [ 0.03133539999999999 -2.3778022999999995 1.0987575999999997 ] [ -1.3728813999999998 4.3792317999999995 -1.7608557999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.045973449486931e-10 -2.119450575523337e-09 3.653423992172927e-09 ] [ 3.007400898735647e-09 -3.854059925736508e-09 -7.978764014582874e-09 ] [ -1.588361705755671e-09 1.043788276565607e-09 8.968284325507614e-09 ] [ -2.326152189605579e-09 1.377662981406926e-09 -1.88493165028626e-09 ] [ -3.631060970933219e-09 -8.827874051398428e-09 -6.944987259150142e-09 ] [ 7.092164967143679e-09 9.17328971518744e-09 5.247773032009857e-09 ] [ 5.020484569704358e-11 -3.809659285331457e-09 1.760403753149918e-09 ] [ -2.199598500333207e-09 7.01630286482976e-09 -2.821202018603377e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.123279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.627369692326288e-18 } }