{ "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" [ [ 19.940584699999995 -16.400369899999998 26.527137099999997 ] [ -1.9384527999999999 2.6042647999999997 -0.9065102999999999 ] [ -0.5477155999999999 -1.5307727999999998 1.2323975999999999 ] [ -3.6723068999999997 -5.417348699999999 7.541713399999999 ] [ 4.182805199999999 4.177308999999999 -2.5604178999999996 ] [ -22.150940299999995 22.859803399999997 -26.684163499999997 ] [ -1.4164135999999998 -8.074576999999998 -9.204545599999998 ] [ 5.602439199999999 1.7816912999999999 4.054389199999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.194833861142217e-08 -2.627628922625203e-08 4.250115887837631e-08 ] [ -3.105743756684298e-09 4.172492176932388e-09 -1.452389609174394e-09 ] [ -8.775371291674444e-10 -2.452568391916554e-09 1.97451862225003e-09 ] [ -5.883684259582524e-09 -8.679549433861271e-09 1.208315689025408e-08 ] [ 6.701592700800667e-09 6.692786817657426e-09 -4.102241698857832e-09 ] [ -3.548971867739653e-08 3.662544256356435e-08 -4.275274290530469e-08 ] [ -2.269344755303163e-09 -1.29368984922494e-08 -1.474730776540751e-08 ] [ 8.976097105693454e-09 2.854584146342759e-09 6.495847587864014e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.249224 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.084065666134226e-18 } }