{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5437516 -4.9387271 -3.1351456 ] [ -3.8031519 -1.7220442 3.851092 ] [ 0.0326383 2.0426306 -1.8059847 ] [ -0.7055944 2.8524921 0.9770317 ] [ 5.9771581 -1.0057461 1.152454 ] [ 0.5627707 1.8804889 -1.4136566 ] [ 0.4799307 0.8909058 0.3742092 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.075539342642593e-09 -7.912713096131384e-09 -5.023056983123988e-09 ] [ -6.0933210595311e-09 -2.759018957224239e-09 6.170129566949914e-09 ] [ 5.229232120265665e-11 3.272654992250676e-09 -2.893506463862502e-09 ] [ -1.130486851447403e-09 4.570196153636696e-09 1.565377347520479e-09 ] [ 9.57646296664535e-09 -1.611382887880779e-09 1.846434855347443e-09 ] [ 9.016580584112504e-10 3.012875351253909e-09 -2.264927554359617e-09 ] [ 7.689337471441786e-10 1.427388444095121e-09 5.995492315282714e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.010768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.764119506665277e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7731884 1.785158 2.0153997 ] [ 1.9773994 2.1252982 4.1470693 ] [ 2.5931467 3.9128319 1.0603868 ] [ 2.4831458 5.1408282 2.9705735 ] [ 4.910147 2.6207574 2.8442679 ] [ 4.8902384 4.0446224 1.037284 ] [ 3.5816873 3.7553169 4.3997198 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7731884e-10 1.785158e-10 2.0153997e-10 ] [ 1.9773994e-10 2.1252982e-10 4.1470693e-10 ] [ 2.5931467e-10 3.9128319e-10 1.0603868e-10 ] [ 2.4831458e-10 5.1408282e-10 2.9705735e-10 ] [ 4.910147000000001e-10 2.6207574e-10 2.8442679e-10 ] [ 4.890238400000001e-10 4.0446224e-10 1.037284e-10 ] [ 3.5816873e-10 3.7553169e-10 4.3997198e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-07 7.7e-06 3.4e-06 ] [ 9.1e-06 3e-06 -4.7e-06 ] [ 7.3e-06 1.7e-06 -7e-06 ] [ 1.08e-05 -1.16e-05 2.6e-06 ] [ -6.2e-06 7.8e-06 9.1e-06 ] [ -1.01e-05 -2.8e-06 -1.35e-05 ] [ -1.01e-05 -5.7e-06 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.28174129664e-15 1.233675998016e-14 5.44740051072e-15 ] [ 1.457980724928e-14 4.8065298624e-15 -7.53023011776e-15 ] [ 1.169588933184e-14 2.72370025536e-15 -1.12152363456e-14 ] [ 1.730350750464e-14 -1.858524880128e-14 4.16565921408e-15 ] [ -9.93349504896e-15 1.249697764224e-14 1.457980724928e-14 ] [ -1.618198387008e-14 -4.48609453824e-15 -2.16293843808e-14 ] [ -1.618198387008e-14 -9.13240673856e-15 1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }