{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9045798 -7.7912549 -16.7103819 ] [ -8.8941572 1.8271182 -2.8642524 ] [ -7.6974577 -8.0213595 12.0954679 ] [ -4.5592774 16.43198 -4.6819973 ] [ 5.7794243 -5.6581785 1.8356231 ] [ 9.9555331 2.406264 -3.3270721 ] [ 4.5113551 0.8054307 13.6526126 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44929660720794e-09 -1.248296644747344e-08 -2.677298320481948e-08 ] [ -1.425001072755999e-08 2.927366063478178e-09 -4.58903823135029e-09 ] [ -1.233268676653694e-08 -1.285163465793198e-08 1.937907588701687e-08 ] [ -7.30476765802181e-09 2.632693418945318e-08 -7.501386612708723e-09 ] [ 9.259658495143404e-09 -9.065401309013212e-09 2.940992415420421e-09 ] [ 1.595052238042055e-08 3.855259924272692e-09 -5.33055713433596e-09 ] [ 7.227987669346847e-09 1.290442237214579e-09 2.18738967205595e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.9049492 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.586947803845167e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1772023 1.9693086 0.3525188 ] [ 0.677006 2.3359853 2.170257 ] [ 1.5314159 1.1398826 3.6119207 ] [ 2.5085286 4.8656831 2.8562336 ] [ 3.6004498 0.8985097 3.3526826 ] [ 4.5375067 2.9890804 1.2583333 ] [ 3.4173907 3.8562194 4.257208 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1772023e-10 1.9693086e-10 3.525188e-11 ] [ 6.770060000000001e-11 2.3359853e-10 2.170257e-10 ] [ 1.5314159e-10 1.1398826e-10 3.6119207e-10 ] [ 2.5085286e-10 4.8656831e-10 2.8562336e-10 ] [ 3.6004498e-10 8.985097e-11 3.3526826e-10 ] [ 4.5375067e-10 2.9890804e-10 1.2583333e-10 ] [ 3.4173907e-10 3.8562194e-10 4.257208000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.5849683 -0.1092315 -0.9367703 ] [ 1.3922914 -1.1181479 0.2284398 ] [ -0.653935 -0.4066943 1.0123482 ] [ -0.00412 0.6712996 0.6102541 ] [ -1.8012876 0.092073 -0.304544 ] [ 0.2269599 0.3736168 -0.7969429 ] [ 0.255123 0.4970843 0.187215 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.372225341691207e-10 -1.750081555549152e-10 -1.500871473719802e-09 ] [ 2.230696730420901e-09 -1.791470423976617e-09 3.660009068202278e-10 ] [ -1.047719368522848e-09 -6.515960992726214e-10 1.621960618148962e-09 ] [ -6.600967677696001e-12 1.075540524672392e-09 9.777348517673452e-10 ] [ -2.885980880056942e-09 1.475172080069184e-10 -4.879332768049151e-10 ] [ 3.636298456391059e-10 5.986001020981095e-10 -1.276843282492552e-09 ] [ 4.087521060283584e-10 7.964168440267334e-10 2.99951496063072e-10 ] ] } "relaxed-potential-energy" { "source-value" -26.520465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.249046899574467e-18 } }