{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.836172 2.264881 3.605889 ] [ 1.711544 3.356754 1.507539 ] [ 2.817956 4.908146 3.003841 ] [ 0.8092812 3.284881 3.852119 ] [ 4.796821 1.314646 2.655969 ] [ 4.297416 3.615744 1.848977 ] [ 4.570903 3.768738 4.135906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.836172e-10 2.264881e-10 3.605889e-10 ] [ 1.711544e-10 3.356754e-10 1.507539e-10 ] [ 2.817956e-10 4.908146e-10 3.003841e-10 ] [ 8.092812000000001e-11 3.284881e-10 3.852119e-10 ] [ 4.796821e-10 1.314646e-10 2.655969e-10 ] [ 4.297416000000001e-10 3.615744e-10 1.848977e-10 ] [ 4.570903000000001e-10 3.768738e-10 4.135906000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.681123 -9.1323371 6.9441147 ] [ -1.8679585 -2.1182115 -6.7298705 ] [ -9.1352162 14.1640811 5.5417523 ] [ -8.4588219 4.4722492 2.6595246 ] [ 4.2180736 -3.7696318 -2.5784785 ] [ 8.3716673 -3.2824679 -16.3701766 ] [ 5.1911327 -0.333682 10.533134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.693455989479982e-09 -1.463161711543132e-08 1.112569831615592e-08 ] [ -2.992799461981689e-09 -3.393748971170091e-09 -1.07824412649459e-08 ] [ -1.463622994217827e-08 2.269335978050102e-08 8.878866046475756e-09 ] [ -1.355252679934748e-08 7.165333169665193e-09 4.261028171668196e-09 ] [ 6.758098962412262e-09 -6.03961598874336e-09 -4.131178003971369e-09 ] [ 1.341288973568187e-08 -5.259093371235047e-09 -2.622791444297356e-08 ] [ 8.31711151593333e-09 -5.346175035863879e-10 1.687594117759096e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.798241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.531157258850079e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9274778 1.9334888 4.1170311 ] [ 2.135773 2.860254 1.5428835 ] [ 2.5970374 5.1899872 2.9391042 ] [ 0.8368274 3.4479261 3.8117139 ] [ 4.2406068 1.2598268 1.9770769 ] [ 4.6970184 3.8400148 1.8071547 ] [ 4.4053525 3.9822922 4.4152757 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9274778e-10 1.9334888e-10 4.1170311e-10 ] [ 2.135773e-10 2.860254e-10 1.5428835e-10 ] [ 2.5970374e-10 5.189987200000001e-10 2.9391042e-10 ] [ 8.368274000000001e-11 3.4479261e-10 3.8117139e-10 ] [ 4.2406068e-10 1.2598268e-10 1.9770769e-10 ] [ 4.697018400000001e-10 3.8400148e-10 1.8071547e-10 ] [ 4.4053525e-10 3.9822922e-10 4.4152757e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.25e-05 2.74e-05 -1.17e-05 ] [ -6.4e-06 4.88e-05 3.2e-05 ] [ -1.85e-05 -6.2e-05 -3.82e-05 ] [ 3.77e-05 1.86e-05 1.1e-05 ] [ 4e-05 -4.26e-05 -2.65e-05 ] [ -1.71e-05 1.01e-05 -7.3e-06 ] [ -1.31e-05 -3e-07 4.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.6048974265e-14 4.389963977159999e-14 -1.87454666178e-14 ] [ -1.02539304576e-14 7.818621973919999e-14 5.126965228799999e-14 ] [ -2.9640267729e-14 -9.933495130799999e-14 -6.12031474188e-14 ] [ 6.040205910179999e-14 2.98004853924e-14 1.7623942974e-14 ] [ 6.408706535999999e-14 -6.82527246084e-14 -4.2457680801e-14 ] [ -2.73972204414e-14 1.61819840034e-14 -1.16958894282e-14 ] [ -2.09885139054e-14 -4.806529901999999e-16 6.552902433059999e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.847122 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820730165654734e-18 } }