{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0780347 0.0112197 1.661349 ] [ 1.004167 1.583481 0.6099477 ] [ 1.186614 2.044688 2.371218 ] [ 2.525789 0.4216906 0.1723184 ] [ 2.89399 2.924329 1.948013 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.80347e-12 1.12197e-12 1.661349e-10 ] [ 1.004167e-10 1.583481e-10 6.099477e-11 ] [ 1.186614e-10 2.044688e-10 2.371218e-10 ] [ 2.525789e-10 4.216906e-11 1.723184e-11 ] [ 2.89399e-10 2.924329e-10 1.948013e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1473422 -3.7925913 2.3353931 ] [ -5.6139445 4.3668794 -17.0139494 ] [ -6.2114955 1.523735 19.580967 ] [ 6.9362215 -5.6012092 -2.8167375 ] [ 7.0365607 3.5031861 -2.0856731 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.440421469697238e-09 -6.076401113109479e-09 3.741712225197637e-09 ] [ -8.994530628368746e-09 6.996512080533132e-09 -2.725935195615419e-08 ] [ -9.951912870304407e-09 2.441292593294688e-09 3.137216754005632e-08 ] [ 1.111305192399031e-08 -8.974126428449873e-09 -4.51291096943064e-09 ] [ 1.127381304438008e-08 5.612722867731531e-09 -3.341616679451461e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.3551978 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.579972714919595e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.3459256 0.4985665 1.732469 ] [ 1.3821517 1.5454482 0.4779485 ] [ 1.3199608 1.61176 2.9870453 ] [ 2.9580227 0.0192724 -0.1602038 ] [ 2.3743851 3.3103611 1.7255871 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.459256e-11 4.985665e-11 1.732469e-10 ] [ 1.3821517e-10 1.5454482e-10 4.779485e-11 ] [ 1.3199608e-10 1.61176e-10 2.9870453e-10 ] [ 2.9580227e-10 1.92724e-12 -1.602038e-11 ] [ 2.3743851e-10 3.3103611e-10 1.7255871e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 1.24e-05 -2.2e-06 ] [ -2.88e-05 3.75e-05 5.9e-06 ] [ 1.9e-06 -1.37e-05 1.7e-05 ] [ 2.97e-05 -1.61e-05 2e-07 ] [ -8.4e-06 -2e-05 -2.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 1.986699009792e-14 -3.52478856576e-15 ] [ -4.614268667904e-14 6.008162327999999e-14 9.45284206272e-15 ] [ 3.04413557952e-15 -2.194981970496e-14 2.72370025536e-14 ] [ 4.758464563776e-14 -2.579504359488e-14 3.2043532416e-16 ] [ -1.345828361472e-14 -3.2043532416e-14 -3.348549137472e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.040478 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.089314897565674e-18 } }