{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.5090086000000005 -1.5670486000000003 1.0292828000000003 ] [ -0.6157118000000001 -0.23554240000000007 -0.5661078000000002 ] [ 0.7665295000000002 -2.0815054000000006 1.5780275000000004 ] [ -0.3933753000000001 2.1862293000000004 1.1564791000000003 ] [ 0.6518123000000001 -0.6150756000000001 0.7676723000000002 ] [ -1.2516358000000003 1.3194186000000003 -1.4517190000000002 ] [ 0.4043245000000001 -1.0777502000000003 -1.9523028000000004 ] [ -2.0709520000000006 2.0712744000000005 -0.5613320000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.019874953425053e-09 -2.510688651262413e-09 1.649092851938095e-09 ] [ -9.864790592380813e-10 -3.773805295962817e-10 -9.070046894851454e-10 ] [ 1.228115654171703e-09 -3.334939315424824e-09 2.528278788309435e-09 ] [ -6.302567140527404e-10 3.502725501026176e-09 1.85288379172935e-09 ] [ 1.044318436813798e-09 -9.854597544635304e-10 1.229946621629038e-09 ] [ -2.005341633037897e-09 2.113941651384993e-09 -2.325910260933846e-09 ] [ 6.477992664537331e-10 -1.726746187728827e-09 -3.127933928652776e-09 ] [ -3.318030904535568e-09 3.31854744628237e-09 -8.993530143164881e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.835846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.741535512082235e-18 } }