{ "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" [ 5.11534 0 0 ] "si-unit" "m" "si-value" [ 5.11534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.215947 5.44617 0 ] "si-unit" "m" "si-value" [ -2.15947e-11 5.446170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.311017 -0.240161 5.43903 ] "si-unit" "m" "si-value" [ 3.11017e-11 -2.40161e-11 5.43903e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.11262 0.0410701 -0.0158461 ] [ 1.41877 1.4243 1.25044 ] [ 0.19719 2.45185 3.01922 ] [ 1.59796 4.1675 4.07229 ] [ 3.2205 -0.170535 2.05026 ] [ 3.94627 1.40202 3.6633 ] [ 2.60901 3.00439 -0.668036 ] [ 3.72698 4.31381 0.563179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1262e-11 4.10701e-12 -1.58461e-12 ] [ 1.41877e-10 1.4243e-10 1.25044e-10 ] [ 1.9719e-11 2.45185e-10 3.01922e-10 ] [ 1.59796e-10 4.1675e-10 4.07229e-10 ] [ 3.2205e-10 -1.70535e-11 2.05026e-10 ] [ 3.94627e-10 1.40202e-10 3.6633e-10 ] [ 2.60901e-10 3.00439e-10 -6.68036e-11 ] [ 3.726980000000001e-10 4.31381e-10 5.63179e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.059006000000002 6.958216200000002 -6.768183600000002 ] [ 1.4343362000000002 0.29099630000000004 -0.4841860000000001 ] [ 7.971621300000002 4.546004700000001 -5.361429000000001 ] [ -1.6580901000000003 0.8176992000000002 -4.5951507000000005 ] [ -7.861159700000002 3.3665461000000008 7.952241300000002 ] [ -1.2611166000000003 -7.411495900000002 2.1676146000000003 ] [ -4.454996300000001 -1.4392792000000003 5.743083800000001 ] [ -0.22960060000000004 -7.128687500000002 1.3460096000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.707597758486928e-09 1.114829131811182e-08 -1.084382552920198e-08 ] [ 2.298059926007113e-09 4.662274685993031e-10 -7.757514893186691e-10 ] [ 1.277194527673131e-08 7.28350244838692e-09 -8.589956197879126e-09 ] [ -2.656553193399935e-09 1.310098541086864e-09 -7.362243020592755e-09 ] [ -1.259496628371515e-08 5.393801454265419e-09 1.27408950938202e-08 ] [ -2.020531532622786e-09 -1.187452545613506e-08 3.472901435024744e-09 ] [ -7.137690917610506e-09 -2.305979485043728e-09 9.201434595655226e-09 ] [ -3.678607134416526e-10 -1.14214164494892e-08 2.15654511249236e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.464958 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.997106428685393e-18 } }