{ "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" [ [ 24.498798899999997 -18.760960699999995 29.386952999999995 ] [ -2.9864590999999994 3.6134871999999993 -0.9506844999999999 ] [ 0.4156889999999999 -1.9857587999999997 1.6738742999999998 ] [ -5.193499399999999 -5.081474599999999 8.322948499999999 ] [ 5.742963699999999 4.9720249999999995 -2.2149122999999995 ] [ -26.712063099999998 24.710731099999997 -30.161140199999995 ] [ -1.0198836999999998 -9.763184699999998 -10.208358599999999 ] [ 5.254453699999999 2.2951354999999998 4.151319799999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.925140315864489e-08 -3.005837286493227e-08 4.708308944105619e-08 ] [ -4.784834988416668e-09 5.789444759098083e-09 -1.523164492205973e-09 ] [ 6.660072028108258e-10 -3.181536350119879e-09 2.681842291713106e-09 ] [ -8.320903387373018e-09 -8.141419870384494e-09 1.333483361268535e-08 ] [ 9.201242250050184e-09 7.966062278663847e-09 -3.548680733419197e-09 ] [ -4.27974433447536e-08 3.959095597747711e-08 -4.832347408323807e-08 ] [ -1.634033833537465e-09 -1.564234639976629e-08 -1.635559362041295e-08 ] [ 8.418562942574843e-09 3.677212469963906e-09 6.65114758382155e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.487358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.801783637799297e-18 } }