{ "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" [ [ 0.9163946 0.5446671 1.49786 ] [ 0.0084298 2.294234 2.779305 ] [ 1.912564 0.4098673 0.1717336 ] [ 2.851379 0.2549877 2.412214 ] [ 1.718971 2.318251 1.204915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.163945999999999e-11 5.446671e-11 1.49786e-10 ] [ 8.4298e-13 2.294234e-10 2.779305e-10 ] [ 1.912564e-10 4.098673e-11 1.717336e-11 ] [ 2.851379e-10 2.549877e-11 2.412214e-10 ] [ 1.718971e-10 2.318251e-10 1.204915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -419.6035003 -19.481755 528.7536308 ] [ -11.8541803 11.43943 12.863247 ] [ 393.4202795 -66.6869329 -543.3394059 ] [ 6.74836 -2.9950642 10.2824494 ] [ 31.2890412 77.724322 -8.5599213 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.722789181865058e-07 -3.12132123931535e-08 8.471567054308748e-07 ] [ -1.899249053540793e-08 1.832798730127814e-08 2.060919361097574e-08 ] [ 6.303287739635016e-07 -1.068442448052384e-07 -8.705256932923416e-07 ] [ 1.081206462074189e-08 -4.798621839035055e-09 1.647430003323899e-08 ] [ 5.013057029788798e-08 1.245280915759311e-07 -1.371450578274794e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 129.40221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.07325195541852e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.506595 0.1671142 1.9869329 ] [ -0.3279464 2.5547257 2.5843462 ] [ 2.0283238 0.4064259 -0.2122683 ] [ 3.180086 0.1972309 2.2337961 ] [ 2.02068 2.4965104 1.4732208 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.06595e-11 1.671142e-11 1.9869329e-10 ] [ -3.279464000000001e-11 2.5547257e-10 2.5843462e-10 ] [ 2.0283238e-10 4.064259e-11 -2.122683e-11 ] [ 3.180086e-10 1.972309e-11 2.2337961e-10 ] [ 2.02068e-10 2.4965104e-10 1.4732208e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.05e-05 1.61e-05 -2.12e-05 ] [ -3.24e-05 3.2e-06 -8.6e-06 ] [ -3.16e-05 1.06e-05 4.45e-05 ] [ -1.57e-05 -7.8e-06 -1.4e-05 ] [ 1.91e-05 -2.22e-05 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.69316855584e-14 2.579504359488e-14 -3.396614436096001e-14 ] [ -5.191052251392001e-14 5.126965186560001e-15 -1.377871893888e-14 ] [ -5.062878121728e-14 1.698307218048e-14 7.129685962560001e-14 ] [ -2.515417294656e-14 -1.249697764224e-14 -2.24304726912e-14 ] [ 3.060157345728e-14 -3.556832098176e-14 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.624493 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.663537401725326e-18 } }