{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.4737e-10 0.0 0.0 ] "source-value" [ 5.4737 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.30015e-13 5.48579e-10 0.0 ] "source-value" [ -0.00330015 5.48579 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.34366e-12 -1.60082e-11 5.49307e-10 ] "source-value" [ 0.0734366 -0.160082 5.49307 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.049718223906237e-09 6.341341365001844e-10 1.559438879875484e-09 ] [ -7.548908292805287e-10 6.363030029917613e-10 -1.499151537117373e-09 ] [ -1.629516322874993e-09 -5.303379252099668e-10 -3.84757252062843e-09 ] [ 6.254288700487295e-10 4.402292209436069e-09 -3.754791914476861e-09 ] [ -1.549286046847137e-09 -2.880059555701789e-09 -2.110098653126016e-11 ] [ 3.829972770666605e-10 5.513358917845095e-10 1.202928946921551e-09 ] [ -6.745613785198446e-10 -3.719639518545861e-09 2.350338148055507e-09 ] [ 1.550110206500876e-09 9.059717587450926e-10 4.009910823683722e-09 ] ] "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 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.801436202318431e-18 "source-value" -36.209717 } }