{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.7787195 -3.6869934 1.6521714 ] [ 4.7583488 -19.4907781 -7.6151968 ] [ 2.7218017 -2.4462994 6.1236783 ] [ -0.7536819 -1.2849311 0.7713971 ] [ 13.6603168 6.7969701 0.3386069 ] [ -5.0408448 5.2531395 -15.2906769 ] [ -5.5672211 14.8588924 14.0200201 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.566723576426107e-08 -5.907214626523902e-09 2.647070390634405e-09 ] [ 7.623715200971735e-09 -3.122766899302064e-08 -1.220089027575097e-08 ] [ 4.360807050193696e-09 -3.919403706157067e-09 9.811214205560288e-09 ] [ -1.207531519700124e-09 -2.058686567758827e-09 1.235914398972919e-09 ] [ 2.188624020968147e-08 1.088994658649664e-08 5.425080588215635e-10 ] [ -8.076323687641253e-09 8.416457292701e-09 -2.449836504538662e-08 ] [ -8.919671489244461e-09 2.38065700142628e-08 2.246254842736608e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6932282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.121557118919266e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1717657 2.9124472 2.7457557 ] [ 4.7931925 1.1421389 1.3854353 ] [ 5.0885597 2.4020942 4.5030662 ] [ 3.4993492 0.990166 3.396839 ] [ 5.5971824 3.5510454 2.1631916 ] [ 3.4132972 3.1402464 0.7087032 ] [ 3.7085893 4.4001643 3.826377 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1717657e-10 2.9124472e-10 2.7457557e-10 ] [ 4.7931925e-10 1.1421389e-10 1.3854353e-10 ] [ 5.088559700000001e-10 2.4020942e-10 4.5030662e-10 ] [ 3.4993492e-10 9.90166e-11 3.396839e-10 ] [ 5.5971824e-10 3.5510454e-10 2.1631916e-10 ] [ 3.4132972e-10 3.1402464e-10 7.087032e-11 ] [ 3.7085893e-10 4.4001643e-10 3.826377e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-06 -2.3e-06 -1.6e-06 ] [ 1.2e-06 1.51e-05 1.1e-06 ] [ -1e-06 -3e-07 9.8e-06 ] [ 1.2e-06 2.2e-06 -5.9e-06 ] [ 6.2e-06 -7.6e-06 -5e-06 ] [ -4.4e-06 -8e-06 1.4e-06 ] [ 5.4e-06 9e-07 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.36185012768e-14 -3.68500622784e-15 -2.56348259328e-15 ] [ 1.92261194496e-15 2.419286697408e-14 1.76239428288e-15 ] [ -1.6021766208e-15 -4.8065298624e-16 1.570133088384e-14 ] [ 1.92261194496e-15 3.52478856576e-15 -9.45284206272e-15 ] [ 9.93349504896e-15 -1.217654231808e-14 -8.010883104e-15 ] [ -7.04957713152e-15 -1.28174129664e-14 2.24304726912e-15 ] [ 8.65175375232e-15 1.44195895872e-15 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.968507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.039089844688114e-18 } }