{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -34.0224666 -30.8437847 4.7253377 ] [ -4.949621 9.600221 -24.589518 ] [ -19.0375438 17.4066267 8.7173239 ] [ 6.1945673 -15.1135179 -14.2879245 ] [ 11.6808609 -11.4156318 3.5626299 ] [ 32.6968329 31.8306812 -2.7950641 ] [ 7.4373703 -1.4645944 24.6672151 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.451000056846887e-08 -4.941719074332874e-08 7.570825588324845e-09 ] [ -7.930167048020716e-09 1.53812496407132e-08 -3.939675085634078e-08 ] [ -3.0501507593816e-08 2.788849034573306e-08 1.396669254852108e-08 ] [ 9.92479090403218e-09 -2.421452503742231e-08 -2.289177859365553e-08 ] [ 1.871480224479685e-08 -1.828985838162102e-08 5.707962334343042e-09 ] [ 5.238610124658426e-08 5.099837324277809e-08 -4.478186354657394e-09 ] [ 1.191598081489228e-08 -2.346538906634604e-09 3.952123533346474e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.491538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.283106310783479e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3121518 2.0257893 2.4245166 ] [ 4.0129877 3.7468499 0.4889927 ] [ 1.8210775 3.3551649 4.3166395 ] [ 3.4137937 1.6509821 1.4065611 ] [ 4.8326058 1.5479632 3.2947922 ] [ 4.5219717 5.0761438 2.381156 ] [ 4.1686989 3.6227599 4.2132252 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3121518e-10 2.0257893e-10 2.4245166e-10 ] [ 4.0129877e-10 3.7468499e-10 4.889927e-11 ] [ 1.8210775e-10 3.3551649e-10 4.3166395e-10 ] [ 3.4137937e-10 1.6509821e-10 1.4065611e-10 ] [ 4.832605799999999e-10 1.5479632e-10 3.2947922e-10 ] [ 4.5219717e-10 5.076143799999999e-10 2.381156e-10 ] [ 4.1686989e-10 3.6227599e-10 4.2132252e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.8e-06 4.93e-05 -1.61e-05 ] [ -9.2e-06 -1.38e-05 3e-06 ] [ 8.8e-06 -2.39e-05 1.5e-05 ] [ -2.6e-06 -2.26e-05 -2.73e-05 ] [ 1.96e-05 -1.65e-05 3.65e-05 ] [ -1.58e-05 3.25e-05 -1.4e-05 ] [ -2.6e-06 -4.9e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.88391791744e-15 7.898730740544e-14 -2.579504359488e-14 ] [ -1.474002491136e-14 -2.211003736704e-14 4.8065298624e-15 ] [ 1.409915426304e-14 -3.829202123712e-14 2.4032649312e-14 ] [ -4.16565921408e-15 -3.620919163008e-14 -4.373942174784e-14 ] [ 3.140266176767999e-14 -2.64359142432e-14 5.84794466592e-14 ] [ -2.531439060864e-14 5.207074017599999e-14 -2.24304726912e-14 ] [ -4.16565921408e-15 -7.850665441919999e-15 4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }