{ "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" [ 5.4737 0 0 ] "si-unit" "m" "si-value" [ 5.4737e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00330015 5.48579 0 ] "si-unit" "m" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0734366 -0.160082 5.49307 ] "si-unit" "m" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.150853 0.00970189 0.0764733 ] [ 1.36952 1.32009 1.51972 ] [ 0.0340703 2.70337 2.97189 ] [ 1.37909 3.89909 4.39384 ] [ 2.73154 -0.0872152 2.86586 ] [ 4.10719 1.23544 4.14892 ] [ 2.70311 2.76853 0.030971 ] [ 4.04883 4.00647 1.36661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.50853e-11 9.70189e-13 7.647329999999999e-12 ] [ 1.36952e-10 1.32009e-10 1.51972e-10 ] [ 3.40703e-12 2.70337e-10 2.97189e-10 ] [ 1.37909e-10 3.89909e-10 4.39384e-10 ] [ 2.73154e-10 -8.72152e-12 2.86586e-10 ] [ 4.10719e-10 1.23544e-10 4.148920000000001e-10 ] [ 2.70311e-10 2.76853e-10 3.0971e-12 ] [ 4.04883e-10 4.00647e-10 1.36661e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2793335 0.3957954 0.9733252 ] [ -0.4711658 0.3971491 -0.9356968 ] [ -1.0170641 -0.3310109 -2.4014659 ] [ 0.390362 2.7476947 -2.3435568 ] [ -0.9669883 -1.7975918 -0.0131702 ] [ 0.2390481 0.3441168 0.7508092 ] [ -0.4210281 -2.3216164 1.4669657 ] [ 0.9675027 0.5654631 2.5027895 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.049718240793439e-09 6.341341417246836e-10 1.559438892723377e-09 ] [ -7.548908354999171e-10 6.363030082341293e-10 -1.499151549468571e-09 ] [ -1.629516336300239e-09 -5.303379295793106e-10 -3.84757255232778e-09 ] [ 6.25428875201508e-10 4.402292245705639e-09 -3.754791945411811e-09 ] [ -1.549286059611382e-09 -2.880059579430001e-09 -2.11009867051068e-11 ] [ 3.829972802220954e-10 5.513358963268512e-10 1.202928956832233e-09 ] [ -6.745613840774154e-10 -3.719639549191197e-09 2.350338167419454e-09 ] [ 1.550110219271912e-09 9.059717662092053e-10 4.009910856720543e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.209717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.801436250115257e-18 } }