{ "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" [ 5.44335 0 0 ] "si-unit" "m" "si-value" [ 5.44335e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0871492 5.32556 0 ] "si-unit" "m" "si-value" [ 8.71492e-12 5.32556e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0678412 -0.0738369 5.55618 ] "si-unit" "m" "si-value" [ 6.784120000000001e-12 -7.38369e-12 5.556180000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0586252 0.00658789 -0.0562217 ] [ 1.37481 1.15024 1.36711 ] [ 0.0858543 2.81471 2.72056 ] [ 1.52563 4.03682 4.13778 ] [ 2.84739 -0.239071 2.58831 ] [ 4.11503 1.39706 3.91123 ] [ 2.74645 2.72703 -0.0478687 ] [ 4.08136 4.16337 1.33715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.86252e-12 6.58789e-13 -5.62217e-12 ] [ 1.37481e-10 1.15024e-10 1.36711e-10 ] [ 8.58543e-12 2.81471e-10 2.72056e-10 ] [ 1.52563e-10 4.03682e-10 4.13778e-10 ] [ 2.84739e-10 -2.39071e-11 2.58831e-10 ] [ 4.11503e-10 1.39706e-10 3.91123e-10 ] [ 2.74645e-10 2.72703e-10 -4.786870000000001e-12 ] [ 4.08136e-10 4.16337e-10 1.33715e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2047592999999999 2.8700784999999995 -2.6702926999999987 ] [ -0.30281389999999997 3.1714709999999995 0.2340044999999999 ] [ 1.9001820999999999 -1.3332357999999997 -1.0498683999999996 ] [ -0.29725689999999994 -0.12753529999999996 0.7960867999999997 ] [ -3.8098948999999998 4.254035799999999 6.066922199999997 ] [ -0.17174409999999998 -0.41451459999999996 0.9959912999999996 ] [ -0.5352831999999998 -3.4481193999999995 1.1202537999999995 ] [ 4.421570099999999 -4.972180299999999 -5.493097399999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.930237200054196e-09 4.598372710445767e-09 -4.278280569880769e-09 ] [ -4.851613550304125e-10 5.081256731608613e-09 3.749165421508528e-10 ] [ 3.044427360965051e-09 -2.136079246372297e-09 -1.682074619254965e-09 ] [ -4.762580594752745e-10 -2.043340776701801e-10 1.27547166959583e-09 ] [ -6.104124586775766e-09 6.815716758959494e-09 9.720280989135868e-09 ] [ -2.751643840473593e-10 -6.641256065718563e-10 1.595753988527283e-09 ] [ -8.576182356127485e-10 -5.524496333922098e-09 1.794844462509708e-09 ] [ 7.084136299813042e-09 -7.966311096695107e-09 -8.800912302566147e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -326.33214 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.228417296312167e-17 } }