{ "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" [ [ -0.37373699999999993 1.0904208999999998 -1.1195450999999996 ] [ 0.23884849999999996 1.8150196999999997 -0.14762589999999995 ] [ 0.33912029999999993 -0.8317259999999999 -0.5679786999999997 ] [ -0.12669659999999996 -0.32606899999999994 -0.1593731999999999 ] [ -4.374564499999999 4.620791099999999 5.264452799999997 ] [ 0.057504599999999996 -0.9737409999999999 1.0953165999999996 ] [ -0.12187829999999998 -0.9537681999999998 0.2738661999999999 ] [ 4.3614030999999995 -4.440927499999999 -4.639112499999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.987926837279294e-10 1.747046872811694e-09 -1.793708985151198e-09 ] [ 3.826774826131488e-10 2.90798212963143e-09 -2.365227656045586e-10 ] [ 5.433306162986822e-10 -1.332571952111501e-09 -9.100021942523766e-10 ] [ -2.029903304548492e-10 -5.224201285676351e-10 -2.553440150220824e-10 ] [ -7.00882496808164e-09 7.403323470020713e-09 8.434583197465094e-09 ] [ 9.213252570845568e-11 -1.560105064914413e-09 1.754890648894145e-09 ] [ -1.952705628428486e-10 -1.528105111702498e-09 4.387820228673368e-10 ] [ 6.987738080704644e-09 -7.115150215167791e-09 -7.432677588761038e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.19212703877592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.594264738255031e-18 } }