{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5453748 -7.0484633 -9.065258 ] [ 2.099588 1.6264436 15.7733921 ] [ -3.7487243 -16.5054666 -20.9078118 ] [ -3.4060481 3.4449436 34.5448389 ] [ 3.8851454 0.6729862 -26.147734 ] [ 4.1341209 7.5537924 14.8023941 ] [ 4.4987208 3.6643085 -11.1185544 ] [ -0.9174278 6.5914556 2.118733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.048684656533242e-08 -1.129288320486653e-08 -1.452414454878157e-08 ] [ 3.363910834626791e-09 2.605849932438842e-09 2.527176026154019e-08 ] [ -6.006118480768006e-09 -2.644467291978742e-08 -3.349800753402948e-08 ] [ -5.457090680100095e-09 5.519408141367842e-09 5.534693371087426e-08 ] [ 6.224689179572583e-09 1.078242764644451e-09 -4.189328844684735e-08 ] [ 6.623591908111049e-09 1.210250968136678e-08 2.371604995427946e-08 ] [ 7.207745348649787e-09 5.870869458467588e-09 -1.781388806353789e-08 ] [ -1.469881384542025e-09 1.056067614636845e-08 3.394584506284722e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.439497 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.47368013341131e-18 } }