{ "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" [ [ 19.382533699999996 -15.280483999999998 20.069922799999997 ] [ -2.8335095999999997 2.7123801999999997 -0.7312404999999998 ] [ 0.26136929999999997 -1.5118302999999997 1.0902941999999998 ] [ -4.769888599999999 -2.8167707999999996 7.958662699999999 ] [ 5.696315499999999 4.132997999999999 -0.34370889999999993 ] [ -19.614267699999996 16.036097999999996 -24.314186199999998 ] [ -2.0436067999999996 -5.013044599999999 -7.236261999999999 ] [ 3.9210541999999995 1.7406534999999999 3.5065178999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.105424234600811e-08 -2.448203421930846e-08 3.215556109142087e-08 ] [ -4.539782835932359e-09 4.345712143160827e-09 -1.171576433282102e-09 ] [ 4.187597818548614e-10 -2.42221916127705e-09 1.746843877033839e-09 ] [ -7.642203998740443e-09 -4.512964321912113e-09 1.2751183310773e-08 ] [ 9.12650351880066e-09 6.621792769413156e-09 -5.50682363940885e-10 ] [ -3.142552114305258e-08 2.569266130445763e-08 -3.895562068341799e-08 ] [ -3.274219037067901e-09 -8.031782857147686e-09 -1.159376979838345e-08 ] [ 6.282221368129647e-09 2.788834342613693e-09 5.618060999796712e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.5402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.290902822655616e-18 } }