{ "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" [ [ 13.415049999999999 -9.743300499999998 15.685275899999999 ] [ -2.4683803999999996 1.5320921999999997 -1.0052523999999998 ] [ -0.18602619999999997 -0.7489516999999999 -0.3852363999999999 ] [ -4.368855699999999 -3.5107324999999996 7.661526899999999 ] [ 4.006480299999999 3.9429570999999997 -2.0821078999999996 ] [ -12.396650699999999 10.623561599999999 -16.834710799999996 ] [ -2.7794928999999997 -3.9825918999999996 -4.799226199999999 ] [ 4.777875599999999 1.8869656999999997 1.7597308999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.14932796539417e-08 -1.561048839914051e-08 2.513058254482332e-08 ] [ -3.954781400703572e-09 2.454682323973654e-09 -1.610591906552421e-09 ] [ -2.980468309518107e-10 -1.199952913734577e-09 -6.172167586462774e-10 ] [ -6.999678519857712e-09 -5.624813579724404e-09 1.227511937994245e-08 ] [ 6.419089121241308e-09 6.317313734484401e-09 -3.335904626846808e-09 ] [ -1.986162409139974e-08 1.702082216537965e-08 -2.697218028390744e-08 ] [ -4.453238578748898e-09 -6.380815684937663e-09 -7.689208078920608e-09 ] [ 7.655000646478728e-09 3.023252353699453e-09 2.81939973010779e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.04108107419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.249629201316709e-18 } }