{ "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" [ [ 19.127172999999996 -17.636505299999996 30.016900899999996 ] [ -1.9765010999999997 2.3103396999999997 -1.0421332999999997 ] [ -2.4025257999999994 -2.0910830999999996 1.5809713999999997 ] [ -3.4872624999999995 -5.343675799999999 7.621179099999999 ] [ 4.116716199999999 4.172071599999999 -2.5522620999999996 ] [ -16.296423799999996 20.577274599999996 -33.502767399999996 ] [ -4.803498699999999 -4.400309799999999 -6.174434199999999 ] [ 5.722322699999999 2.4118879999999994 4.052545499999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.0645109402597e-08 -2.825679646427528e-08 4.809237685085048e-08 ] [ -3.166703853405483e-09 3.701572253446085e-09 -1.669681609017152e-09 ] [ -3.849270667628816e-09 -3.350284454969988e-09 2.532995415233445e-09 ] [ -5.587210448092559e-09 -8.561512435894736e-09 1.221047497694958e-08 ] [ 6.595706450108615e-09 6.684395577823648e-09 -4.089174666773911e-09 ] [ -2.610974921500869e-08 3.296842828390167e-08 -5.36773506603804e-08 ] [ -7.696053315183192e-09 -7.050073485837122e-09 -9.89253412190795e-09 ] [ 9.168171646613131e-09 3.864270565588069e-09 6.492893654828246e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.192506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.914760778696373e-18 } }