{ "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" [ 5.37928 0 0 ] "si-unit" "m" "si-value" [ 5.37928e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.109609 5.36452 0 ] "si-unit" "m" "si-value" [ -1.09609e-11 5.36452e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.116688 0.583163 5.41925 ] "si-unit" "m" "si-value" [ -1.16688e-11 5.83163e-11 5.41925e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.149607 0.163517 0.168021 ] [ 1.37749 1.37328 1.35818 ] [ 0.000964456 2.92001 2.60942 ] [ 1.4682 4.32928 3.69686 ] [ 2.55926 -0.0770152 2.34173 ] [ 4.30694 1.43375 4.42217 ] [ 2.84059 2.75554 0.271651 ] [ 3.86093 4.12935 1.26521 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.49607e-11 1.63517e-11 1.68021e-11 ] [ 1.37749e-10 1.37328e-10 1.35818e-10 ] [ 9.64456e-14 2.92001e-10 2.60942e-10 ] [ 1.4682e-10 4.32928e-10 3.69686e-10 ] [ 2.55926e-10 -7.70152e-12 2.34173e-10 ] [ 4.30694e-10 1.43375e-10 4.422170000000001e-10 ] [ 2.84059e-10 2.75554e-10 2.71651e-11 ] [ 3.86093e-10 4.12935e-10 1.26521e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 33.98616049999999 -27.132611499999996 43.50742509999999 ] [ 0.8247298999999999 6.532139899999999 -0.26974309999999996 ] [ 0.5475231999999999 -0.04847309999999999 -0.6728450999999999 ] [ -15.523290399999999 -18.276793099999995 24.825748799999996 ] [ 17.160710499999997 14.532067999999999 -17.434254699999997 ] [ -33.69072709999999 28.842895399999996 -48.305366199999995 ] [ -13.082910899999998 -14.271390999999998 -13.538997899999998 ] [ 9.777804199999999 9.822165499999999 11.888033099999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.445183178385642e-08 -4.347123580654921e-08 6.97065793264271e-08 ] [ 1.321362964254722e-09 1.046564183157485e-08 -4.321760884421164e-10 ] [ 8.772288703856024e-10 -7.766246755770046e-11 -1.078016688639838e-09 ] [ -2.487105295676908e-08 -2.928265060801875e-08 3.977523432121365e-08 ] [ 2.749448915941707e-08 2.328293960147581e-08 -2.793275528141252e-08 ] [ -5.397849529737297e-08 4.621141268605986e-08 -7.739372838482253e-08 ] [ -2.096113397598948e-08 -2.286528900649553e-08 -2.169186590444029e-08 ] [ 1.566576929200005e-08 1.573684392972834e-08 1.904672870011655e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.30378116 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.867110723915041e-20 } }