{ "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" [ [ 1.2259283 1.4730498 -1.9421861 ] [ 0.3957973 -0.3616726 1.1985292 ] [ -1.7531394 0.1947209 1.2995638 ] [ -0.3343046 0.6178225 -0.7629694 ] [ -0.3386858 1.4192004 -0.1332262 ] [ 0.1130148 -3.0616734 -0.4690159 ] [ 0.6913895 -0.2814477 0.8093046 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.964153677219342e-09 2.360085970278373e-09 -3.111725188299587e-09 ] [ 6.341371858602882e-10 -5.794633888780283e-10 1.920255479406712e-09 ] [ -2.808838982824779e-09 3.119772761314506e-10 2.082130754752249e-09 ] [ -5.356150187587163e-10 9.89860773459465e-10 -1.222411745136999e-09 ] [ -5.426344750275971e-10 2.273809719843453e-09 -2.134519046766107e-10 ] [ 1.810696718561832e-10 -4.905341582419335e-09 -7.514463159544805e-10 ] [ 1.107728101892943e-09 -4.509289286330418e-10 1.296648919908716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.22573706491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.599649679483678e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9972027 2.4072065 3.6124143 ] [ 1.8299959 3.1472787 1.53927 ] [ 2.7005579 4.7535828 3.1691449 ] [ 0.9365533 3.4033977 3.7110887 ] [ 4.4823467 1.255453 2.3456434 ] [ 4.350263 3.5148594 1.9653624 ] [ 4.5431737 4.0320119 4.2673165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9972027e-10 2.4072065e-10 3.6124143e-10 ] [ 1.8299959e-10 3.1472787e-10 1.53927e-10 ] [ 2.7005579e-10 4.7535828e-10 3.1691449e-10 ] [ 9.365533000000001e-11 3.4033977e-10 3.7110887e-10 ] [ 4.4823467e-10 1.255453e-10 2.3456434e-10 ] [ 4.350263e-10 3.514859400000001e-10 1.9653624e-10 ] [ 4.5431737e-10 4.0320119e-10 4.2673165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0002358 9.69e-05 -4.05e-05 ] [ 0.0001014 0.0001385 0.0001893 ] [ -5.02e-05 -0.0001535 -0.0001452 ] [ 0.0003032 -0.0001082 -3.1e-05 ] [ -1.76e-05 -0.0001343 -3.97e-05 ] [ -5.23e-05 6.72e-05 6.22e-05 ] [ -4.86e-05 9.34e-05 4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.777932502972e-13 1.552509158346e-13 -6.4888153677e-14 ] [ 1.624607106876e-13 2.21901463809e-13 3.032920368162e-13 ] [ -8.04292670268e-14 -2.45934113319e-13 -2.326360472568e-13 ] [ 4.857799554287999e-13 -1.733555117988e-13 -4.966747565399999e-14 ] [ -2.81983087584e-14 -2.151723219462e-13 -6.36064123698e-14 ] [ -8.379383795819998e-14 1.076662698048e-13 9.965538663479998e-14 ] [ -7.786578441239999e-14 1.496432976156e-13 7.690447843199998e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.79600506491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.011452012755469e-18 } }