{ "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" [ 5.44714 0 0 ] "si-unit" "m" "si-value" [ 5.44714e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103058 5.37075 0 ] "si-unit" "m" "si-value" [ 1.03058e-11 5.37075e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0454409 0.00880856 5.43207 ] "si-unit" "m" "si-value" [ 4.54409e-12 8.808560000000001e-13 5.432070000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.092279 -0.1565 0.140236 ] [ 1.30169 1.48453 1.67094 ] [ -0.064284 2.41697 2.49469 ] [ 1.35107 4.20911 4.05148 ] [ 2.6753 0.0424873 2.71018 ] [ 4.05146 1.3988 4.09778 ] [ 2.74223 2.69898 0.420733 ] [ 4.21922 4.15138 1.78205 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.227900000000001e-12 -1.565e-11 1.40236e-11 ] [ 1.30169e-10 1.48453e-10 1.67094e-10 ] [ -6.4284e-12 2.41697e-10 2.49469e-10 ] [ 1.35107e-10 4.20911e-10 4.05148e-10 ] [ 2.6753e-10 4.24873e-12 2.71018e-10 ] [ 4.05146e-10 1.3988e-10 4.09778e-10 ] [ 2.74223e-10 2.69898e-10 4.20733e-11 ] [ 4.21922e-10 4.15138e-10 1.78205e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.10768480000000002 2.8649671000000003 0.35514100000000004 ] [ 7.930110600000002 -7.3873247000000015 -7.719813400000001 ] [ -7.895944800000001 7.036462000000002 8.193190600000001 ] [ 0.19929700000000006 -2.9818111000000003 -0.07782040000000001 ] [ -0.9019401000000002 1.3969837000000003 2.7234574000000005 ] [ -0.11322890000000002 -0.9677688000000002 1.3390402000000001 ] [ 0.4433505000000001 1.3251755000000003 -1.6272895000000005 ] [ 0.4460405000000001 -1.2866836000000001 -3.185905800000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.725300703969632e-10 4.590183344798742e-09 5.68998611975394e-10 ] [ 1.270543790835572e-08 -1.183579902211106e-08 -1.23685046483201e-08 ] [ -1.26506982619138e-08 1.127365500242891e-08 1.312693853722844e-08 ] [ 3.193089966262981e-10 -4.777388071421837e-09 -1.246820265285336e-10 ] [ -1.445067353487624e-09 2.238214642218866e-09 4.363459809974391e-09 ] [ -1.814126978735226e-10 -1.550536558474219e-09 2.145378920426687e-09 ] [ 7.103258117722171e-10 2.123165222049267e-09 -2.607205213653543e-09 ] [ 7.146356669176771e-10 -2.061494399271002e-09 -5.104383830885078e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.777592 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.091331538718532e-18 } }