{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.198213 1.350624 3.055818 ] [ 2.6169 3.019665 1.923407 ] [ 3.04509 0.4771157 2.258597 ] [ 0.8976629 3.617369 3.27072 ] [ 3.817629 1.77083 3.542328 ] [ 3.146341 4.405242 3.880584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.198213e-10 1.350624e-10 3.055818e-10 ] [ 2.6169e-10 3.019665e-10 1.923407e-10 ] [ 3.04509e-10 4.771157e-11 2.258597e-10 ] [ 8.976629000000001e-11 3.617369e-10 3.27072e-10 ] [ 3.817629e-10 1.77083e-10 3.542328e-10 ] [ 3.146341e-10 4.405242e-10 3.880584e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.8620565 6.4666962 -0.3716786 ] [ -0.2963346 -5.2507835 8.6890128 ] [ -14.3232966 -21.5233467 -25.3907129 ] [ 5.8769717 -2.2886383 -0.3001662 ] [ 8.7720711 29.2422167 21.9070771 ] [ -3.8914681 -6.6461443 -4.5335322 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.187696632508676e-09 1.03607894654562e-08 -5.954947633716749e-10 ] [ -4.747803680541197e-10 -8.412682564582396e-09 1.392133316599195e-08 ] [ -2.294845094530413e-08 -3.448420288411283e-08 -4.068040659382497e-08 ] [ 9.415946658843231e-09 -3.666802777727457e-09 -4.809192679943769e-10 ] [ 1.405440723241534e-08 4.685119593710733e-08 3.509900675968306e-08 ] [ -6.234819210408997e-09 -1.064829701592318e-08 -7.26351930048399e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.944382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.156748228150435e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2422589 1.3266659 2.909175 ] [ 2.5000827 2.8401531 1.8906549 ] [ 3.2523659 0.7792905 2.1449308 ] [ 1.3056364 3.4056719 3.6693199 ] [ 3.0646188 2.0813527 3.9189357 ] [ 3.3568732 4.2077116 3.3984376 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2422589e-10 1.3266659e-10 2.909175e-10 ] [ 2.5000827e-10 2.8401531e-10 1.8906549e-10 ] [ 3.2523659e-10 7.792905e-11 2.1449308e-10 ] [ 1.3056364e-10 3.4056719e-10 3.6693199e-10 ] [ 3.0646188e-10 2.0813527e-10 3.9189357e-10 ] [ 3.3568732e-10 4.2077116e-10 3.3984376e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.89e-05 -8.64e-05 5.92e-05 ] [ 3.83e-05 -0.0001484 -0.0001023 ] [ -7.65e-05 6.22e-05 -0.0001691 ] [ -3.3e-05 7.83e-05 -4.35e-05 ] [ 2e-05 0.0001094 0.0001493 ] [ 2.24e-05 -1.51e-05 0.0001063 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.630290434112001e-14 -1.3842806003712e-13 9.484885595136001e-14 ] [ 6.136336457664001e-14 -2.3776301052672e-13 -1.6390266830784e-13 ] [ -1.225665114912e-13 9.965538581376e-14 -2.7092806657728e-13 ] [ -5.28718284864e-14 1.2545042940864e-13 -6.969468300480001e-14 ] [ 3.2043532416e-14 1.7527812231552e-13 2.3920496948544e-13 ] [ 3.588875630592e-14 -2.419286697408e-14 1.7031137479104e-13 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }