{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5386134 -0.2853993 -2.875968 ] [ 0.343537 0.5980066 1.239735 ] [ -0.3043964 0.6854465 0.3414503 ] [ 0.0930079 -0.6773011 1.1129171 ] [ -1.0669616 0.0580728 1.2943447 ] [ 0.4854685 0.4883451 0.6767018 ] [ -0.0848015 1.8826002 -1.9569109 ] [ -0.0044673 -2.7497708 0.1677299 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.629537971295988e-10 -4.572600860526855e-10 -4.607808691768934e-09 ] [ 5.504069497797696e-10 9.581121936040974e-10 1.986274432987488e-09 ] [ -4.876967955356851e-10 1.098206357109187e-09 5.470636878251462e-10 ] [ 1.490150829297043e-10 -1.085155987662123e-09 1.783089758508536e-09 ] [ -1.709460930811361e-09 9.304288246439425e-11 2.07376881759639e-09 ] [ 7.778062808348449e-10 7.824151021022381e-10 1.084195803213278e-09 ] [ -1.358669807087712e-10 3.016258026753404e-09 -3.135316892968687e-09 ] [ -7.157403618099839e-12 -4.405618488318512e-09 2.687329243891219e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -41.139453 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.591266978910043e-18 } }